[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 3-[(4-morpholin-4-ylsulfonylthiophen-2-yl)carbonylamino]benzoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 3-[(4-morpholin-4-ylsulfonylthiophen-2-yl)carbonylamino]benzoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 3-[(4-morpholinosulfonylthiophene-2-carbonyl)amino]benzoate CAS Name: 3-[[[4-(4-morpholinylsulfonyl)-2-thiophenyl]-oxomethyl]amino]benzoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 3-[(4-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]benzoate Traditional Name: 3-[(4-morpholinosulfonylthiophene-2-carbonyl)amino]benzoic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C24H21BrN2O7S2 MolecularWeight: 593.46674

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CSC(=C2)C(=O)NC3=CC=CC(=C3)C(=O)OCC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CSC(=C2)C(=O)NC3=CC=CC(=C3)C(=O)OCC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C24H21BrN2O7S2/c25-18-6-4-16(5-7-18)21(28)14-34-24(30)17-2-1-3-19(12-17)26-23(29)22-13-20(15-35-22)36(31,32)27-8-10-33-11-9-27/h1-7,12-13,15H,8-11,14H2,(H,26,29)