[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 4-[(5-bromanyl-2-ethoxy-phenyl)sulfonylamino]benzoate

Systemtic Name: [2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 4-[(5-bromanyl-2-ethoxy-phenyl)sulfonylamino]benzoate Openeye Name: [2-(3-methyl-1-piperidyl)-2-oxo-ethyl] 4-[(5-bromo-2-ethoxy-phenyl)sulfonylamino]benzoate CAS Name: 4-[(5-bromo-2-ethoxyphenyl)sulfonylamino]benzoic acid [2-(3-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4-[(5-bromo-2-ethoxyphenyl)sulfonylamino]benzoate Traditional Name: 4-[(5-bromo-2-ethoxy-phenyl)sulfonylamino]benzoic acid [2-keto-2-(3-methylpiperidino)ethyl] ester Formula: C23H27BrN2O6S MolecularWeight: 539.43928

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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)N3CCCC(C3)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)N3CCCC(C3)C

InChI

InChI=1S/C23H27BrN2O6S/c1-3-31-20-11-8-18(24)13-21(20)33(29,30)25-19-9-6-17(7-10-19)23(28)32-15-22(27)26-12-4-5-16(2)14-26/h6-11,13,16,25H,3-5,12,14-15H2,1-2H3