4-[(3-methylphenyl)-methylsulfonyl-amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide

Systemtic Name: 4-[(3-methylphenyl)-methylsulfonyl-amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide Openeye Name: 4-(3-methyl-N-methylsulfonyl-anilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide CAS Name: 4-(3-methyl-N-methylsulfonylanilino)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]butanamide IUPAC Name: 4-(3-methyl-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide Traditional Name: 4-(N-mesyl-3-methyl-anilino)-N-(4-pyrrolidinosulfonylphenyl)butyramide Formula: C22H29N3O5S2 MolecularWeight: 479.61276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)N(CCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)S(=O)(=O)C

InChI

InChI=1S/C22H29N3O5S2/c1-18-7-5-8-20(17-18)25(31(2,27)28)16-6-9-22(26)23-19-10-12-21(13-11-19)32(29,30)24-14-3-4-15-24/h5,7-8,10-13,17H,3-4,6,9,14-16H2,1-2H3,(H,23,26)