2-[(4-methylphenyl)-methylsulfonyl-amino]-N-(pyridin-4-ylmethyl)propanamide

Systemtic Name: 2-[(4-methylphenyl)-methylsulfonyl-amino]-N-(pyridin-4-ylmethyl)propanamide Openeye Name: 2-(4-methyl-N-methylsulfonyl-anilino)-N-(4-pyridylmethyl)propanamide CAS Name: 2-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide IUPAC Name: 2-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide Traditional Name: 2-(N-mesyl-4-methyl-anilino)-N-(4-pyridylmethyl)propionamide Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O3S/c1-13-4-6-16(7-5-13)20(24(3,22)23)14(2)17(21)19-12-15-8-10-18-11-9-15/h4-11,14H,12H2,1-3H3,(H,19,21)