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

Systemtic Name: 2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-[4-(phenylsulfanylmethyl)phenyl]butanamide Openeye Name: 2-(3,4-dimethyl-N-methylsulfonyl-anilino)-N-[4-(phenylsulfanylmethyl)phenyl]butanamide CAS Name: 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[4-[(phenylthio)methyl]phenyl]butanamide IUPAC Name: 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[4-(phenylsulfanylmethyl)phenyl]butanamide Traditional Name: 2-(N-mesyl-3,4-dimethyl-anilino)-N-[4-[(phenylthio)methyl]phenyl]butyramide Formula: C26H30N2O3S2 MolecularWeight: 482.658

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O3S2/c1-5-25(28(33(4,30)31)23-16-11-19(2)20(3)17-23)26(29)27-22-14-12-21(13-15-22)18-32-24-9-7-6-8-10-24/h6-17,25H,5,18H2,1-4H3,(H,27,29)