(2S)-2-[(2,5-dimethylphenyl)-methylsulfonyl-amino]-N-pyridin-3-yl-propanamide

Systemtic Name: (2S)-2-[(2,5-dimethylphenyl)-methylsulfonyl-amino]-N-pyridin-3-yl-propanamide Openeye Name: (2S)-2-(2,5-dimethyl-N-methylsulfonyl-anilino)-N-(3-pyridyl)propanamide CAS Name: (2S)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(3-pyridinyl)propanamide IUPAC Name: (2S)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-pyridin-3-ylpropanamide Traditional Name: (2S)-2-(N-mesyl-2,5-dimethyl-anilino)-N-(3-pyridyl)propionamide Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N(C(C)C(=O)NC2=CN=CC=C2)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N([C@@H](C)C(=O)NC2=CN=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C17H21N3O3S/c1-12-7-8-13(2)16(10-12)20(24(4,22)23)14(3)17(21)19-15-6-5-9-18-11-15/h5-11,14H,1-4H3,(H,19,21)/t14-/m0/s1