2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-(2-pyrrolidin-1-ylcarbonylphenyl)butanamide

Systemtic Name: 2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-(2-pyrrolidin-1-ylcarbonylphenyl)butanamide Openeye Name: 2-(3,4-dimethyl-N-methylsulfonyl-anilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide CAS Name: 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[2-[oxo(1-pyrrolidinyl)methyl]phenyl]butanamide IUPAC Name: 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide Traditional Name: 2-(N-mesyl-3,4-dimethyl-anilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]butyramide Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1C(=O)N2CCCC2)N(C3=CC(=C(C=C3)C)C)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C(=O)N2CCCC2)N(C3=CC(=C(C=C3)C)C)S(=O)(=O)C

InChI

InChI=1S/C24H31N3O4S/c1-5-22(27(32(4,30)31)19-13-12-17(2)18(3)16-19)23(28)25-21-11-7-6-10-20(21)24(29)26-14-8-9-15-26/h6-7,10-13,16,22H,5,8-9,14-15H2,1-4H3,(H,25,28)