2-[(3-methoxyphenyl)-(4-methylphenyl)sulfonyl-amino]-N-pyridin-3-yl-ethanamide

Systemtic Name: 2-[(3-methoxyphenyl)-(4-methylphenyl)sulfonyl-amino]-N-pyridin-3-yl-ethanamide Openeye Name: 2-[3-methoxy-N-(p-tolylsulfonyl)anilino]-N-(3-pyridyl)acetamide CAS Name: 2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-pyridinyl)acetamide IUPAC Name: 2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide Traditional Name: 2-(3-methoxy-N-tosyl-anilino)-N-(3-pyridyl)acetamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CN=CC=C2)C3=CC(=CC=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CN=CC=C2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C21H21N3O4S/c1-16-8-10-20(11-9-16)29(26,27)24(18-6-3-7-19(13-18)28-2)15-21(25)23-17-5-4-12-22-14-17/h3-14H,15H2,1-2H3,(H,23,25)