[4-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcarbamoyl)phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcarbamoyl)phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[oxo-(5-spiro[1,3-benzodioxole-2,1'-cyclopentane]ylamino)methyl]phenyl] ester IUPAC Name: [4-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcarbamoyl)phenyl] ester Formula: C24H20N2O8S MolecularWeight: 496.4892

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)OC3=C(O2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)OS(=O)(=O)C5=CC=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCC2(C1)OC3=C(O2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)OS(=O)(=O)C5=CC=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H20N2O8S/c27-23(25-17-8-11-21-22(14-17)33-24(32-21)12-1-2-13-24)16-6-9-19(10-7-16)34-35(30,31)20-5-3-4-18(15-20)26(28)29/h3-11,14-15H,1-2,12-13H2,(H,25,27)