[4-[3-(1-phenylethoxy)propylcarbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[3-(1-phenylethoxy)propylcarbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[3-(1-phenylethoxy)propylcarbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[oxo-[3-(1-phenylethoxy)propylamino]methyl]phenyl] ester IUPAC Name: [4-[3-(1-phenylethoxy)propylcarbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[3-(1-phenylethoxy)propylcarbamoyl]phenyl] ester Formula: C24H24N2O7S MolecularWeight: 484.52156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)OCCCNC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=CC=C1)OCCCNC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H24N2O7S/c1-18(19-7-3-2-4-8-19)32-16-6-15-25-24(27)20-11-13-22(14-12-20)33-34(30,31)23-10-5-9-21(17-23)26(28)29/h2-5,7-14,17-18H,6,15-16H2,1H3,(H,25,27)