(2S)-2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]-N-(2-pyrrolidin-1-ylcarbonylphenyl)propanamide

Systemtic Name: (2S)-2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]-N-(2-pyrrolidin-1-ylcarbonylphenyl)propanamide Openeye Name: (2S)-2-(3,5-dimethyl-N-methylsulfonyl-anilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide CAS Name: (2S)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-[oxo(1-pyrrolidinyl)methyl]phenyl]propanamide IUPAC Name: (2S)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide Traditional Name: (2S)-2-(N-mesyl-3,5-dimethyl-anilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propionamide Formula: C23H29N3O4S MolecularWeight: 443.55906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=CC(=C1)N([C@@H](C)C(=O)NC2=CC=CC=C2C(=O)N3CCCC3)S(=O)(=O)C)C

InChI

InChI=1S/C23H29N3O4S/c1-16-13-17(2)15-19(14-16)26(31(4,29)30)18(3)22(27)24-21-10-6-5-9-20(21)23(28)25-11-7-8-12-25/h5-6,9-10,13-15,18H,7-8,11-12H2,1-4H3,(H,24,27)/t18-/m0/s1