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

Systemtic Name: 2-[(4-methylphenyl)-methylsulfonyl-amino]-N-[4-(phenylsulfanylmethyl)phenyl]butanamide Openeye Name: 2-(4-methyl-N-methylsulfonyl-anilino)-N-[4-(phenylsulfanylmethyl)phenyl]butanamide CAS Name: 2-(4-methyl-N-methylsulfonylanilino)-N-[4-[(phenylthio)methyl]phenyl]butanamide IUPAC Name: 2-(4-methyl-N-methylsulfonylanilino)-N-[4-(phenylsulfanylmethyl)phenyl]butanamide Traditional Name: 2-(N-mesyl-4-methyl-anilino)-N-[4-[(phenylthio)methyl]phenyl]butyramide Formula: C25H28N2O3S2 MolecularWeight: 468.63142

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

InChI

InChI=1S/C25H28N2O3S2/c1-4-24(27(32(3,29)30)22-16-10-19(2)11-17-22)25(28)26-21-14-12-20(13-15-21)18-31-23-8-6-5-7-9-23/h5-17,24H,4,18H2,1-3H3,(H,26,28)