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

Systemtic Name: 2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]butanamide Openeye Name: 2-(3,4-dimethyl-N-methylsulfonyl-anilino)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]butanamide CAS Name: 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[2-methyl-4-[(phenylthio)methyl]phenyl]butanamide IUPAC Name: 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]butanamide Traditional Name: 2-(N-mesyl-3,4-dimethyl-anilino)-N-[2-methyl-4-[(phenylthio)methyl]phenyl]butyramide Formula: C27H32N2O3S2 MolecularWeight: 496.68458

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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(=C(C=C3)C)C)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O3S2/c1-6-26(29(34(5,31)32)23-14-12-19(2)20(3)17-23)27(30)28-25-15-13-22(16-21(25)4)18-33-24-10-8-7-9-11-24/h7-17,26H,6,18H2,1-5H3,(H,28,30)