(2S)-2-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]-N-(pyridin-4-ylmethyl)propanamide

Systemtic Name: (2S)-2-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]-N-(pyridin-4-ylmethyl)propanamide Openeye Name: (2S)-2-(5-chloro-2-methyl-N-methylsulfonyl-anilino)-N-(4-pyridylmethyl)propanamide CAS Name: (2S)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide IUPAC Name: (2S)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide Traditional Name: (2S)-2-(5-chloro-N-mesyl-2-methyl-anilino)-N-(4-pyridylmethyl)propionamide Formula: C17H20ClN3O3S MolecularWeight: 381.877

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N(C(C)C(=O)NCC2=CC=NC=C2)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N([C@@H](C)C(=O)NCC2=CC=NC=C2)S(=O)(=O)C

InChI

InChI=1S/C17H20ClN3O3S/c1-12-4-5-15(18)10-16(12)21(25(3,23)24)13(2)17(22)20-11-14-6-8-19-9-7-14/h4-10,13H,11H2,1-3H3,(H,20,22)/t13-/m0/s1