N-[[2-(dimethylamino)pyridin-4-yl]methyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[[2-(dimethylamino)pyridin-4-yl]methyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[[2-(dimethylamino)-4-pyridyl]methyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[[2-(dimethylamino)pyridin-4-yl]methyl]-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[[2-(dimethylamino)-4-pyridyl]methyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C21H27N5O5S MolecularWeight: 461.53458

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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)NCC3=CC(=NC=C3)N(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC(=NC=C3)N(C)C

InChI

InChI=1S/C21H27N5O5S/c1-15-4-5-18(26(28)29)13-19(15)32(30,31)25-10-7-17(8-11-25)21(27)23-14-16-6-9-22-20(12-16)24(2)3/h4-6,9,12-13,17H,7-8,10-11,14H2,1-3H3,(H,23,27)