[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 4-[(5-bromanylthiophen-2-yl)sulfonylamino]benzoate

Systemtic Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 4-[(5-bromanylthiophen-2-yl)sulfonylamino]benzoate Openeye Name: [2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl] 4-[(5-bromo-2-thienyl)sulfonylamino]benzoate CAS Name: 4-[(5-bromo-2-thiophenyl)sulfonylamino]benzoic acid [2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 4-[(5-bromothiophen-2-yl)sulfonylamino]benzoate Traditional Name: 4-[(5-bromo-2-thienyl)sulfonylamino]benzoic acid [2-(3,5-dimethylpiperidino)-2-keto-ethyl] ester Formula: C20H23BrN2O5S2 MolecularWeight: 515.44102

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)COC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(S3)Br)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)COC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(S3)Br)C

InChI

InChI=1S/C20H23BrN2O5S2/c1-13-9-14(2)11-23(10-13)18(24)12-28-20(25)15-3-5-16(6-4-15)22-30(26,27)19-8-7-17(21)29-19/h3-8,13-14,22H,9-12H2,1-2H3