[2-(cycloheptylamino)-2-oxidanylidene-ethyl] 5-[(4-nitrophenyl)sulfamoyl]-2-oxidanyl-benzoate

Systemtic Name: [2-(cycloheptylamino)-2-oxidanylidene-ethyl] 5-[(4-nitrophenyl)sulfamoyl]-2-oxidanyl-benzoate Openeye Name: [2-(cycloheptylamino)-2-oxo-ethyl] 2-hydroxy-5-[(4-nitrophenyl)sulfamoyl]benzoate CAS Name: 2-hydroxy-5-[(4-nitrophenyl)sulfamoyl]benzoic acid [2-(cycloheptylamino)-2-oxoethyl] ester IUPAC Name: [2-(cycloheptylamino)-2-oxoethyl] 2-hydroxy-5-[(4-nitrophenyl)sulfamoyl]benzoate Traditional Name: 2-hydroxy-5-[(4-nitrophenyl)sulfamoyl]benzoic acid [2-(cycloheptylamino)-2-keto-ethyl] ester Formula: C22H25N3O8S MolecularWeight: 491.5142

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1CCCC(CC1)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C22H25N3O8S/c26-20-12-11-18(34(31,32)24-16-7-9-17(10-8-16)25(29)30)13-19(20)22(28)33-14-21(27)23-15-5-3-1-2-4-6-15/h7-13,15,24,26H,1-6,14H2,(H,23,27)