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

Systemtic Name: 2-[methylsulfonyl-(4-phenoxyphenyl)amino]-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-(N-methylsulfonyl-4-phenoxy-anilino)-N-(3-pyridylmethyl)acetamide CAS Name: 2-(N-methylsulfonyl-4-phenoxyanilino)-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-(N-methylsulfonyl-4-phenoxyanilino)-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-(N-mesyl-4-phenoxy-anilino)-N-(3-pyridylmethyl)acetamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCC1=CN=CC=C1)C2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCC1=CN=CC=C1)C2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4S/c1-29(26,27)24(16-21(25)23-15-17-6-5-13-22-14-17)18-9-11-20(12-10-18)28-19-7-3-2-4-8-19/h2-14H,15-16H2,1H3,(H,23,25)