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

Systemtic Name: 2-[(3-chlorophenyl)-methylsulfonyl-amino]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]butanamide Openeye Name: 2-(3-chloro-N-methylsulfonyl-anilino)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]butanamide CAS Name: 2-(3-chloro-N-methylsulfonylanilino)-N-[2-methyl-4-[(phenylthio)methyl]phenyl]butanamide IUPAC Name: 2-(3-chloro-N-methylsulfonylanilino)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]butanamide Traditional Name: 2-(3-chloro-N-mesyl-anilino)-N-[2-methyl-4-[(phenylthio)methyl]phenyl]butyramide Formula: C25H27ClN2O3S2 MolecularWeight: 503.07648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27ClN2O3S2/c1-4-24(28(33(3,30)31)21-10-8-9-20(26)16-21)25(29)27-23-14-13-19(15-18(23)2)17-32-22-11-6-5-7-12-22/h5-16,24H,4,17H2,1-3H3,(H,27,29)