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

Systemtic Name: 2-[methylsulfonyl(phenyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide Openeye Name: 2-(N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide CAS Name: 2-(N-methylsulfonylanilino)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]butanamide IUPAC Name: 2-(N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide Traditional Name: 2-(N-mesylanilino)-N-(4-pyrrolidinosulfonylphenyl)butyramide Formula: C21H27N3O5S2 MolecularWeight: 465.58618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O5S2/c1-3-20(24(30(2,26)27)18-9-5-4-6-10-18)21(25)22-17-11-13-19(14-12-17)31(28,29)23-15-7-8-16-23/h4-6,9-14,20H,3,7-8,15-16H2,1-2H3,(H,22,25)