N-(6-methylpyridin-2-yl)-1-(2-morpholin-4-ylsulfonyl-4-nitro-phenyl)piperidine-3-carboxamide

Systemtic Name: N-(6-methylpyridin-2-yl)-1-(2-morpholin-4-ylsulfonyl-4-nitro-phenyl)piperidine-3-carboxamide Openeye Name: N-(6-methyl-2-pyridyl)-1-(2-morpholinosulfonyl-4-nitro-phenyl)piperidine-3-carboxamide CAS Name: N-(6-methyl-2-pyridinyl)-1-[2-(4-morpholinylsulfonyl)-4-nitrophenyl]-3-piperidinecarboxamide IUPAC Name: N-(6-methylpyridin-2-yl)-1-(2-morpholin-4-ylsulfonyl-4-nitrophenyl)piperidine-3-carboxamide Traditional Name: N-(6-methyl-2-pyridyl)-1-(2-morpholinosulfonyl-4-nitro-phenyl)nipecotamide Formula: C22H27N5O6S MolecularWeight: 489.54468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)NC(=O)C2CCCN(C2)C3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=NC(=CC=C1)NC(=O)C2CCCN(C2)C3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H27N5O6S/c1-16-4-2-6-21(23-16)24-22(28)17-5-3-9-25(15-17)19-8-7-18(27(29)30)14-20(19)34(31,32)26-10-12-33-13-11-26/h2,4,6-8,14,17H,3,5,9-13,15H2,1H3,(H,23,24,28)