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

Systemtic Name: [2-[(2,3-dimethylcyclohexyl)amino]-2-oxidanylidene-ethyl] 4-[(5-bromanylthiophen-2-yl)sulfonylamino]benzoate Openeye Name: [2-[(2,3-dimethylcyclohexyl)amino]-2-oxo-ethyl] 4-[(5-bromo-2-thienyl)sulfonylamino]benzoate CAS Name: 4-[(5-bromo-2-thiophenyl)sulfonylamino]benzoic acid [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 4-[(5-bromothiophen-2-yl)sulfonylamino]benzoate Traditional Name: 4-[(5-bromo-2-thienyl)sulfonylamino]benzoic acid [2-[(2,3-dimethylcyclohexyl)amino]-2-keto-ethyl] ester Formula: C21H25BrN2O5S2 MolecularWeight: 529.4676

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)COC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

CC1CCCC(C1C)NC(=O)COC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C21H25BrN2O5S2/c1-13-4-3-5-17(14(13)2)23-19(25)12-29-21(26)15-6-8-16(9-7-15)24-31(27,28)20-11-10-18(22)30-20/h6-11,13-14,17,24H,3-5,12H2,1-2H3,(H,23,25)