[4-(4-aminocarbonylpiperidin-1-yl)carbonylphenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-(4-aminocarbonylpiperidin-1-yl)carbonylphenyl] 3-nitrobenzenesulfonate Openeye Name: [4-(4-carbamoylpiperidine-1-carbonyl)phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[(4-carbamoyl-1-piperidinyl)-oxomethyl]phenyl] ester IUPAC Name: [4-(4-carbamoylpiperidine-1-carbonyl)phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-(4-carbamoylpiperidine-1-carbonyl)phenyl] ester Formula: C19H19N3O7S MolecularWeight: 433.43506

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)N)C(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O7S/c20-18(23)13-8-10-21(11-9-13)19(24)14-4-6-16(7-5-14)29-30(27,28)17-3-1-2-15(12-17)22(25)26/h1-7,12-13H,8-11H2,(H2,20,23)