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Details

Stereochemistry ACHIRAL
Molecular Formula C16H25N3O3S
Molecular Weight 339.453
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-((4-(2-AMINOETHYL)PHENYL)SULFONYL)-3-(TRANS-4-METHYLCYCLOHEXYL)UREA

SMILES

C[C@H]1CC[C@@H](CC1)NC(=O)NS(=O)(=O)C2=CC=C(CCN)C=C2

InChI

InChIKey=SNBXKGJBULWABY-MQMHXKEQSA-N
InChI=1S/C16H25N3O3S/c1-12-2-6-14(7-3-12)18-16(20)19-23(21,22)15-8-4-13(5-9-15)10-11-17/h4-5,8-9,12,14H,2-3,6-7,10-11,17H2,1H3,(H2,18,19,20)/t12-,14-

HIDE SMILES / InChI

Molecular Formula C16H25N3O3S
Molecular Weight 339.453
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
Y04O3X1M2F
Record Status Validated (UNII)
Record Version