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

Systemtic Name: ethyl 4-[[5-[(4-bromophenyl)sulfonyl-ethyl-amino]-1-benzothiophen-2-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[5-[(4-bromophenyl)sulfonyl-ethyl-amino]benzothiophene-2-carbonyl]amino]benzoate CAS Name: 4-[[[5-[(4-bromophenyl)sulfonyl-ethylamino]-1-benzothiophen-2-yl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-[(4-bromophenyl)sulfonyl-ethylamino]-1-benzothiophene-2-carbonyl]amino]benzoate Traditional Name: 4-[[5-[brosyl(ethyl)amino]benzothiophene-2-carbonyl]amino]benzoic acid ethyl ester Formula: C26H23BrN2O5S2 MolecularWeight: 587.50522

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC2=C(C=C1)SC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)OCC)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CCN(C1=CC2=C(C=C1)SC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)OCC)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C26H23BrN2O5S2/c1-3-29(36(32,33)22-12-7-19(27)8-13-22)21-11-14-23-18(15-21)16-24(35-23)25(30)28-20-9-5-17(6-10-20)26(31)34-4-2/h5-16H,3-4H2,1-2H3,(H,28,30)