3-nitro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide

Systemtic Name: 3-nitro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide Openeye Name: 3-nitro-N-[[4-(1-piperidylsulfonyl)phenyl]methyl]benzamide CAS Name: 3-nitro-N-[[4-(1-piperidinylsulfonyl)phenyl]methyl]benzamide IUPAC Name: 3-nitro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide Traditional Name: 3-nitro-N-(4-piperidinosulfonylbenzyl)benzamide Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O5S/c23-19(16-5-4-6-17(13-16)22(24)25)20-14-15-7-9-18(10-8-15)28(26,27)21-11-2-1-3-12-21/h4-10,13H,1-3,11-12,14H2,(H,20,23)