2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide

Systemtic Name: 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide Openeye Name: 4-methylsulfanyl-2-(p-tolylsulfonylamino)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide CAS Name: 2-[(4-methylphenyl)sulfonylamino]-4-(methylthio)-N-[[2-(1-pyrrolidinylmethyl)phenyl]methyl]butanamide IUPAC Name: 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide Traditional Name: 4-(methylthio)-N-[2-(pyrrolidinomethyl)benzyl]-2-(tosylamino)butyramide Formula: C24H33N3O3S2 MolecularWeight: 475.66712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NCC2=CC=CC=C2CN3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NCC2=CC=CC=C2CN3CCCC3

InChI

InChI=1S/C24H33N3O3S2/c1-19-9-11-22(12-10-19)32(29,30)26-23(13-16-31-2)24(28)25-17-20-7-3-4-8-21(20)18-27-14-5-6-15-27/h3-4,7-12,23,26H,5-6,13-18H2,1-2H3,(H,25,28)