2-[(3-chlorophenyl)-methylsulfonyl-amino]-N-[4-(cyanomethyl)phenyl]butanamide

Systemtic Name: 2-[(3-chlorophenyl)-methylsulfonyl-amino]-N-[4-(cyanomethyl)phenyl]butanamide Openeye Name: 2-(3-chloro-N-methylsulfonyl-anilino)-N-[4-(cyanomethyl)phenyl]butanamide CAS Name: 2-(3-chloro-N-methylsulfonylanilino)-N-[4-(cyanomethyl)phenyl]butanamide IUPAC Name: 2-(3-chloro-N-methylsulfonylanilino)-N-[4-(cyanomethyl)phenyl]butanamide Traditional Name: 2-(3-chloro-N-mesyl-anilino)-N-[4-(cyanomethyl)phenyl]butyramide Formula: C19H20ClN3O3S MolecularWeight: 405.8984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O3S/c1-3-18(19(24)22-16-9-7-14(8-10-16)11-12-21)23(27(2,25)26)17-6-4-5-15(20)13-17/h4-10,13,18H,3,11H2,1-2H3,(H,22,24)