[2-[1-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-sulfamoylbenzoate

Systemtic Name: [2-[1-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-sulfamoylbenzoate Openeye Name: [2-[1-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 4-sulfamoylbenzoate CAS Name: 4-sulfamoylbenzoic acid [2-[1-[2-(1-cyclohexenyl)ethyl]-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-sulfamoylbenzoate Traditional Name: 4-sulfamoylbenzoic acid [2-[1-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CCCCC2)C)C(=O)COC(=O)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC1=CC(=C(N1CCC2=CCCCC2)C)C(=O)COC(=O)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C23H28N2O5S/c1-16-14-21(17(2)25(16)13-12-18-6-4-3-5-7-18)22(26)15-30-23(27)19-8-10-20(11-9-19)31(24,28)29/h6,8-11,14H,3-5,7,12-13,15H2,1-2H3,(H2,24,28,29)