N-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1-(3-pyridylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1-(3-pyridinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-(2-keto-2-mesidino-ethyl)-1-(3-pyridylsulfonyl)isonipecotamide Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O4S/c1-15-11-16(2)21(17(3)12-15)25-20(27)14-24-22(28)18-6-9-26(10-7-18)31(29,30)19-5-4-8-23-13-19/h4-5,8,11-13,18H,6-7,9-10,14H2,1-3H3,(H,24,28)(H,25,27)