2-[(4-methylphenyl)-methylsulfonyl-amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide

Systemtic Name: 2-[(4-methylphenyl)-methylsulfonyl-amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide Openeye Name: 2-(4-methyl-N-methylsulfonyl-anilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide CAS Name: 2-(4-methyl-N-methylsulfonylanilino)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]butanamide IUPAC Name: 2-(4-methyl-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide Traditional Name: 2-(N-mesyl-4-methyl-anilino)-N-(4-pyrrolidinosulfonylphenyl)butyramide Formula: C22H29N3O5S2 MolecularWeight: 479.61276

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)N(C3=CC=C(C=C3)C)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)N(C3=CC=C(C=C3)C)S(=O)(=O)C

InChI

InChI=1S/C22H29N3O5S2/c1-4-21(25(31(3,27)28)19-11-7-17(2)8-12-19)22(26)23-18-9-13-20(14-10-18)32(29,30)24-15-5-6-16-24/h7-14,21H,4-6,15-16H2,1-3H3,(H,23,26)