| Stereochemistry | ACHIRAL |
| Molecular Formula | C20H21ClN6O3S |
| Molecular Weight | 460.937 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
![Structure of N-(2-Chloroethyl)-3-[ethyl[4-[(5-nitro-2,1-benzisothiazol-3-yl)azo]phenyl]amino]propionamide](/img/f7a6dd6c-f8d7-4c13-a722-e27009377877.svg?size=400&version=5&stereo=false "Structure of N-(2-Chloroethyl)-3-[ethyl[4-[(5-nitro-2,1-benzisothiazol-3-yl)azo]phenyl]amino]propionamide")
SMILES
CCN(CCC(=O)NCCCl)C1=CC=C(C=C1)\N=N\C2=C3C=C(C=CC3=NS2)[N+]([O-])=O
InChI
InChIKey=UDSMBLVBRYEGJY-WCWDXBQESA-N
InChI=1S/C20H21ClN6O3S/c1-2-26(12-9-19(28)22-11-10-21)15-5-3-14(4-6-15)23-24-20-17-13-16(27(29)30)7-8-18(17)25-31-20/h3-8,13H,2,9-12H2,1H3,(H,22,28)/b24-23+
| Molecular Formula | C20H21ClN6O3S |
| Molecular Weight | 460.937 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |