N-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(2,3-dimethylanilino)-2-oxo-ethyl]-1-(3-pyridylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-(2,3-dimethylanilino)-2-oxoethyl]-1-(3-pyridinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[2-(2,3-dimethylanilino)-2-oxoethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(2,3-dimethylanilino)-2-keto-ethyl]-1-(3-pyridylsulfonyl)isonipecotamide Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O4S/c1-15-5-3-7-19(16(15)2)24-20(26)14-23-21(27)17-8-11-25(12-9-17)30(28,29)18-6-4-10-22-13-18/h3-7,10,13,17H,8-9,11-12,14H2,1-2H3,(H,23,27)(H,24,26)