N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-4-yl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-4-yl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[1-(2-amino-2-oxo-ethyl)-4-piperidyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[1-(2-amino-2-oxoethyl)-4-piperidinyl]-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[1-(2-amino-2-keto-ethyl)-4-piperidyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C20H29N5O6S MolecularWeight: 467.53916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC3CCN(CC3)CC(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC3CCN(CC3)CC(=O)N

InChI

InChI=1S/C20H29N5O6S/c1-14-2-3-17(25(28)29)12-18(14)32(30,31)24-10-4-15(5-11-24)20(27)22-16-6-8-23(9-7-16)13-19(21)26/h2-3,12,15-16H,4-11,13H2,1H3,(H2,21,26)(H,22,27)