3-nitro-N-[1-(phenylmethyl)piperidin-4-yl]benzenesulfonamide

Systemtic Name: 3-nitro-N-[1-(phenylmethyl)piperidin-4-yl]benzenesulfonamide Openeye Name: N-(1-benzyl-4-piperidyl)-3-nitro-benzenesulfonamide CAS Name: 3-nitro-N-[1-(phenylmethyl)-4-piperidinyl]benzenesulfonamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-3-nitrobenzenesulfonamide Traditional Name: N-(1-benzyl-4-piperidyl)-3-nitro-benzenesulfonamide Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C18H21N3O4S/c22-21(23)17-7-4-8-18(13-17)26(24,25)19-16-9-11-20(12-10-16)14-15-5-2-1-3-6-15/h1-8,13,16,19H,9-12,14H2