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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]butanamide Openeye Name: 4-(3-chloro-4-methoxy-N-methylsulfonyl-anilino)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]butanamide CAS Name: 4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[2-methyl-4-[(phenylthio)methyl]phenyl]butanamide IUPAC Name: 4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]butanamide Traditional Name: 4-(3-chloro-N-mesyl-4-methoxy-anilino)-N-[2-methyl-4-[(phenylthio)methyl]phenyl]butyramide Formula: C26H29ClN2O4S2 MolecularWeight: 533.10246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CSC2=CC=CC=C2)NC(=O)CCCN(C3=CC(=C(C=C3)OC)Cl)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)CSC2=CC=CC=C2)NC(=O)CCCN(C3=CC(=C(C=C3)OC)Cl)S(=O)(=O)C

InChI

InChI=1S/C26H29ClN2O4S2/c1-19-16-20(18-34-22-8-5-4-6-9-22)11-13-24(19)28-26(30)10-7-15-29(35(3,31)32)21-12-14-25(33-2)23(27)17-21/h4-6,8-9,11-14,16-17H,7,10,15,18H2,1-3H3,(H,28,30)