[4-[[1-(phenylmethyl)piperidin-4-yl]carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[[1-(phenylmethyl)piperidin-4-yl]carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(1-benzyl-4-piperidyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[oxo-[[1-(phenylmethyl)-4-piperidinyl]amino]methyl]phenyl] ester IUPAC Name: [4-[(1-benzylpiperidin-4-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[(1-benzyl-4-piperidyl)carbamoyl]phenyl] ester Formula: C25H25N3O6S MolecularWeight: 495.5475

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

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