Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C34H46N4O5S |
| Molecular Weight | 622.818 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCCCCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)C2=NN(C(=O)C2CCC#N)C3=CC=CC(=C3)S(O)(=O)=O
InChI
InChIKey=ADSVMOOPQPIGEI-UHFFFAOYSA-N
InChI=1S/C34H46N4O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-32(39)36-28-23-21-27(22-24-28)33-31(19-16-25-35)34(40)38(37-33)29-17-15-18-30(26-29)44(41,42)43/h15,17-18,21-24,26,31H,2-14,16,19-20H2,1H3,(H,36,39)(H,41,42,43)
![Structure of ALTERNATIVE DEFINITION for [3-[4-(2-Cyanoethyl)-4,5-dihydro-5-oxo-3-[4-[(1-oxohexadecyl)amino]phenyl]-1H-pyrazol-1-yl]benzenesulfonic acid]](/img/ce3d59f6-7f55-45a8-ba2b-f97b30a85692.svg "Structure of ALTERNATIVE DEFINITION for [3-[4-(2-Cyanoethyl)-4,5-dihydro-5-oxo-3-[4-[(1-oxohexadecyl)amino]phenyl]-1H-pyrazol-1-yl]benzenesulfonic acid]")