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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O4S/c19-26(24,25)16-6-7-17(18(13-16)21(22)23)20-10-8-15(9-11-20)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H2,19,24,25)