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

Systemtic Name: 2-[(3-chlorophenyl)-methylsulfonyl-amino]-N-[4-(phenylsulfanylmethyl)phenyl]butanamide Openeye Name: 2-(3-chloro-N-methylsulfonyl-anilino)-N-[4-(phenylsulfanylmethyl)phenyl]butanamide CAS Name: 2-(3-chloro-N-methylsulfonylanilino)-N-[4-[(phenylthio)methyl]phenyl]butanamide IUPAC Name: 2-(3-chloro-N-methylsulfonylanilino)-N-[4-(phenylsulfanylmethyl)phenyl]butanamide Traditional Name: 2-(3-chloro-N-mesyl-anilino)-N-[4-[(phenylthio)methyl]phenyl]butyramide Formula: C24H25ClN2O3S2 MolecularWeight: 489.0499

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)CSC2=CC=CC=C2)N(C3=CC(=CC=C3)Cl)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)CSC2=CC=CC=C2)N(C3=CC(=CC=C3)Cl)S(=O)(=O)C

InChI

InChI=1S/C24H25ClN2O3S2/c1-3-23(27(32(2,29)30)21-9-7-8-19(25)16-21)24(28)26-20-14-12-18(13-15-20)17-31-22-10-5-4-6-11-22/h4-16,23H,3,17H2,1-2H3,(H,26,28)