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

Systemtic Name: 2-[[3-methoxy-2-(4-methylphenyl)sulfonyl-phenyl]amino]-N-pyridin-3-yl-ethanamide Openeye Name: 2-[3-methoxy-2-(p-tolylsulfonyl)anilino]-N-(3-pyridyl)acetamide CAS Name: 2-[3-methoxy-2-(4-methylphenyl)sulfonylanilino]-N-(3-pyridinyl)acetamide IUPAC Name: 2-[3-methoxy-2-(4-methylphenyl)sulfonylanilino]-N-pyridin-3-ylacetamide Traditional Name: 2-(3-methoxy-2-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)C2=C(C=CC=C2OC)NCC(=O)NC3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=CC=C2OC)NCC(=O)NC3=CN=CC=C3

InChI

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