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

Systemtic Name: 3-nitro-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide Openeye Name: 3-nitro-N-[[1-(3-pyridylmethyl)-4-piperidyl]methyl]benzenesulfonamide CAS Name: 3-nitro-N-[[1-(3-pyridinylmethyl)-4-piperidinyl]methyl]benzenesulfonamide IUPAC Name: 3-nitro-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide Traditional Name: 3-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)17-4-1-5-18(11-17)27(25,26)20-13-15-6-9-21(10-7-15)14-16-3-2-8-19-12-16/h1-5,8,11-12,15,20H,6-7,9-10,13-14H2