methyl 2-[[5-[(4-bromophenyl)sulfonyl-ethyl-amino]-1-benzothiophen-2-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[5-[(4-bromophenyl)sulfonyl-ethyl-amino]-1-benzothiophen-2-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[5-[(4-bromophenyl)sulfonyl-ethyl-amino]benzothiophene-2-carbonyl]amino]benzoate CAS Name: 2-[[[5-[(4-bromophenyl)sulfonyl-ethylamino]-1-benzothiophen-2-yl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[5-[(4-bromophenyl)sulfonyl-ethylamino]-1-benzothiophene-2-carbonyl]amino]benzoate Traditional Name: 2-[[5-[brosyl(ethyl)amino]benzothiophene-2-carbonyl]amino]benzoic acid methyl ester Formula: C25H21BrN2O5S2 MolecularWeight: 573.47864

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC2=C(C=C1)SC(=C2)C(=O)NC3=CC=CC=C3C(=O)OC)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CCN(C1=CC2=C(C=C1)SC(=C2)C(=O)NC3=CC=CC=C3C(=O)OC)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C25H21BrN2O5S2/c1-3-28(35(31,32)19-11-8-17(26)9-12-19)18-10-13-22-16(14-18)15-23(34-22)24(29)27-21-7-5-4-6-20(21)25(30)33-2/h4-15H,3H2,1-2H3,(H,27,29)