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

Systemtic Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-[(2-pyrrolidin-1-ylpyridin-4-yl)methyl]piperidine-4-carboxamide Openeye Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-[(2-pyrrolidin-1-yl-4-pyridyl)methyl]piperidine-4-carboxamide CAS Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-N-[[2-(1-pyrrolidinyl)-4-pyridinyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-N-[(2-pyrrolidin-1-ylpyridin-4-yl)methyl]piperidine-4-carboxamide Traditional Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-[(2-pyrrolidino-4-pyridyl)methyl]isonipecotamide Formula: C23H29N5O5S MolecularWeight: 487.57186

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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)N4CCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC(=NC=C3)N4CCCC4

InChI

InChI=1S/C23H29N5O5S/c1-17-4-5-20(28(30)31)15-21(17)34(32,33)27-12-7-19(8-13-27)23(29)25-16-18-6-9-24-22(14-18)26-10-2-3-11-26/h4-6,9,14-15,19H,2-3,7-8,10-13,16H2,1H3,(H,25,29)