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

Systemtic Name: 3-nitro-N-[4-oxidanyl-3-[4-(phenylmethyl)piperidin-1-yl]carbonyl-phenyl]benzenesulfonamide Openeye Name: N-[3-(4-benzylpiperidine-1-carbonyl)-4-hydroxy-phenyl]-3-nitro-benzenesulfonamide CAS Name: N-[4-hydroxy-3-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]phenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[3-(4-benzylpiperidine-1-carbonyl)-4-hydroxyphenyl]-3-nitrobenzenesulfonamide Traditional Name: N-[3-(4-benzylpiperidine-1-carbonyl)-4-hydroxy-phenyl]-3-nitro-benzenesulfonamide Formula: C25H25N3O6S MolecularWeight: 495.5475

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])O

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])O

InChI

InChI=1S/C25H25N3O6S/c29-24-10-9-20(26-35(33,34)22-8-4-7-21(17-22)28(31)32)16-23(24)25(30)27-13-11-19(12-14-27)15-18-5-2-1-3-6-18/h1-10,16-17,19,26,29H,11-15H2