[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-[(5-bromanylthiophen-2-yl)sulfonylamino]benzoate

Systemtic Name: [2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-[(5-bromanylthiophen-2-yl)sulfonylamino]benzoate Openeye Name: [2-(3-methyl-1-piperidyl)-2-oxo-ethyl] 2-[(5-bromo-2-thienyl)sulfonylamino]benzoate CAS Name: 2-[(5-bromo-2-thiophenyl)sulfonylamino]benzoic acid [2-(3-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-[(5-bromothiophen-2-yl)sulfonylamino]benzoate Traditional Name: 2-[(5-bromo-2-thienyl)sulfonylamino]benzoic acid [2-keto-2-(3-methylpiperidino)ethyl] ester Formula: C19H21BrN2O5S2 MolecularWeight: 501.41444

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

CC1CCCN(C1)C(=O)COC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C19H21BrN2O5S2/c1-13-5-4-10-22(11-13)17(23)12-27-19(24)14-6-2-3-7-15(14)21-29(25,26)18-9-8-16(20)28-18/h2-3,6-9,13,21H,4-5,10-12H2,1H3