2-nitro-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide

Systemtic Name: 2-nitro-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide Openeye Name: 2-nitro-N-[[1-(3-pyridylmethyl)-4-piperidyl]methyl]benzenesulfonamide CAS Name: 2-nitro-N-[[1-(3-pyridinylmethyl)-4-piperidinyl]methyl]benzenesulfonamide IUPAC Name: 2-nitro-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide Traditional Name: 2-nitro-N-[[1-(3-pyridylmethyl)-4-piperidyl]methyl]benzenesulfonamide Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])CC3=CN=CC=C3

Isomeric SMILES

C1CN(CCC1CNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])CC3=CN=CC=C3

InChI

InChI=1S/C18H22N4O4S/c23-22(24)17-5-1-2-6-18(17)27(25,26)20-13-15-7-10-21(11-8-15)14-16-4-3-9-19-12-16/h1-6,9,12,15,20H,7-8,10-11,13-14H2