2-methyl-5-nitro-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide

Systemtic Name: 2-methyl-5-nitro-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide Openeye Name: 2-methyl-5-nitro-N-[[1-(3-pyridylmethyl)-4-piperidyl]methyl]benzenesulfonamide CAS Name: 2-methyl-5-nitro-N-[[1-(3-pyridinylmethyl)-4-piperidinyl]methyl]benzenesulfonamide IUPAC Name: 2-methyl-5-nitro-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide Traditional Name: 2-methyl-5-nitro-N-[[1-(3-pyridylmethyl)-4-piperidyl]methyl]benzenesulfonamide Formula: C19H24N4O4S MolecularWeight: 404.48326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCC2CCN(CC2)CC3=CN=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCC2CCN(CC2)CC3=CN=CC=C3

InChI

InChI=1S/C19H24N4O4S/c1-15-4-5-18(23(24)25)11-19(15)28(26,27)21-13-16-6-9-22(10-7-16)14-17-3-2-8-20-12-17/h2-5,8,11-12,16,21H,6-7,9-10,13-14H2,1H3