2-[(4-chlorophenyl)-methylsulfonyl-amino]-N-[4-(cyanomethyl)phenyl]propanamide

Systemtic Name: 2-[(4-chlorophenyl)-methylsulfonyl-amino]-N-[4-(cyanomethyl)phenyl]propanamide Openeye Name: 2-(4-chloro-N-methylsulfonyl-anilino)-N-[4-(cyanomethyl)phenyl]propanamide CAS Name: 2-(4-chloro-N-methylsulfonylanilino)-N-[4-(cyanomethyl)phenyl]propanamide IUPAC Name: 2-(4-chloro-N-methylsulfonylanilino)-N-[4-(cyanomethyl)phenyl]propanamide Traditional Name: 2-(4-chloro-N-mesyl-anilino)-N-[4-(cyanomethyl)phenyl]propionamide Formula: C18H18ClN3O3S MolecularWeight: 391.87182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)CC#N)N(C2=CC=C(C=C2)Cl)S(=O)(=O)C

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)CC#N)N(C2=CC=C(C=C2)Cl)S(=O)(=O)C

InChI

InChI=1S/C18H18ClN3O3S/c1-13(18(23)21-16-7-3-14(4-8-16)11-12-20)22(26(2,24)25)17-9-5-15(19)6-10-17/h3-10,13H,11H2,1-2H3,(H,21,23)