[2-(cycloheptylamino)-2-oxidanylidene-ethyl] 4-[(5-bromanyl-2-ethoxy-phenyl)sulfonylamino]benzoate

Systemtic Name: [2-(cycloheptylamino)-2-oxidanylidene-ethyl] 4-[(5-bromanyl-2-ethoxy-phenyl)sulfonylamino]benzoate Openeye Name: [2-(cycloheptylamino)-2-oxo-ethyl] 4-[(5-bromo-2-ethoxy-phenyl)sulfonylamino]benzoate CAS Name: 4-[(5-bromo-2-ethoxyphenyl)sulfonylamino]benzoic acid [2-(cycloheptylamino)-2-oxoethyl] ester IUPAC Name: [2-(cycloheptylamino)-2-oxoethyl] 4-[(5-bromo-2-ethoxyphenyl)sulfonylamino]benzoate Traditional Name: 4-[(5-bromo-2-ethoxy-phenyl)sulfonylamino]benzoic acid [2-(cycloheptylamino)-2-keto-ethyl] ester Formula: C24H29BrN2O6S MolecularWeight: 553.46586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)NC3CCCCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)NC3CCCCCC3

InChI

InChI=1S/C24H29BrN2O6S/c1-2-32-21-14-11-18(25)15-22(21)34(30,31)27-20-12-9-17(10-13-20)24(29)33-16-23(28)26-19-7-5-3-4-6-8-19/h9-15,19,27H,2-8,16H2,1H3,(H,26,28)