2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-(pyridin-4-ylmethyl)ethanamide

Systemtic Name: 2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-(pyridin-4-ylmethyl)ethanamide Openeye Name: 2-(3,4-dimethyl-N-methylsulfonyl-anilino)-N-(4-pyridylmethyl)acetamide CAS Name: 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide IUPAC Name: 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide Traditional Name: 2-(N-mesyl-3,4-dimethyl-anilino)-N-(4-pyridylmethyl)acetamide Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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