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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(S2)C=CC(=C3)N(C)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(S2)C=CC(=C3)N(C)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

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