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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)NC(=O)C2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(N=CC=C1)NC(=O)C2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

InChI

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