N-[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(2-methoxy-5-methyl-anilino)-2-oxo-ethyl]-1-(3-pyridylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1-(3-pyridinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-keto-2-(2-methoxy-5-methyl-anilino)ethyl]-1-(3-pyridylsulfonyl)isonipecotamide Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C21H26N4O5S/c1-15-5-6-19(30-2)18(12-15)24-20(26)14-23-21(27)16-7-10-25(11-8-16)31(28,29)17-4-3-9-22-13-17/h3-6,9,12-13,16H,7-8,10-11,14H2,1-2H3,(H,23,27)(H,24,26)