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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

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