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

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

CC1=C(C=C(C=C1)N(CCCC(=O)NC2=CC=CC=C2C(=O)N3CCCC3)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(CCCC(=O)NC2=CC=CC=C2C(=O)N3CCCC3)S(=O)(=O)C)C

InChI

InChI=1S/C24H31N3O4S/c1-18-12-13-20(17-19(18)2)27(32(3,30)31)16-8-11-23(28)25-22-10-5-4-9-21(22)24(29)26-14-6-7-15-26/h4-5,9-10,12-13,17H,6-8,11,14-16H2,1-3H3,(H,25,28)