2-[(3-chlorophenyl)-methylsulfonyl-amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide

Systemtic Name: 2-[(3-chlorophenyl)-methylsulfonyl-amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide Openeye Name: 2-(3-chloro-N-methylsulfonyl-anilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide CAS Name: 2-(3-chloro-N-methylsulfonylanilino)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]butanamide IUPAC Name: 2-(3-chloro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide Traditional Name: 2-(3-chloro-N-mesyl-anilino)-N-(4-pyrrolidinosulfonylphenyl)butyramide Formula: C21H26ClN3O5S2 MolecularWeight: 500.03124

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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(=CC=C3)Cl)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O5S2/c1-3-20(25(31(2,27)28)18-8-6-7-16(22)15-18)21(26)23-17-9-11-19(12-10-17)32(29,30)24-13-4-5-14-24/h6-12,15,20H,3-5,13-14H2,1-2H3,(H,23,26)