3-nitro-N-[(1-phenethylpiperidin-4-yl)methyl]benzenesulfonamide

Systemtic Name: 3-nitro-N-[(1-phenethylpiperidin-4-yl)methyl]benzenesulfonamide Openeye Name: 3-nitro-N-[(1-phenethyl-4-piperidyl)methyl]benzenesulfonamide CAS Name: 3-nitro-N-[(1-phenethyl-4-piperidinyl)methyl]benzenesulfonamide IUPAC Name: 3-nitro-N-[(1-phenethylpiperidin-4-yl)methyl]benzenesulfonamide Traditional Name: 3-nitro-N-[(1-phenethyl-4-piperidyl)methyl]benzenesulfonamide Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])CCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1CNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])CCC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O4S/c24-23(25)19-7-4-8-20(15-19)28(26,27)21-16-18-10-13-22(14-11-18)12-9-17-5-2-1-3-6-17/h1-8,15,18,21H,9-14,16H2