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

Systemtic Name: methyl 2-[[5-[(4-bromophenyl)sulfonyl-methyl-amino]-1-benzothiophen-2-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[5-[(4-bromophenyl)sulfonyl-methyl-amino]benzothiophene-2-carbonyl]amino]benzoate CAS Name: 2-[[[5-[(4-bromophenyl)sulfonyl-methylamino]-1-benzothiophen-2-yl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[5-[(4-bromophenyl)sulfonyl-methylamino]-1-benzothiophene-2-carbonyl]amino]benzoate Traditional Name: 2-[[5-[brosyl(methyl)amino]benzothiophene-2-carbonyl]amino]benzoic acid methyl ester Formula: C24H19BrN2O5S2 MolecularWeight: 559.45206

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Descriptors Computed from Structure

Canonical SMILES:

CN(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

CN(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/C24H19BrN2O5S2/c1-27(34(30,31)18-10-7-16(25)8-11-18)17-9-12-21-15(13-17)14-22(33-21)23(28)26-20-6-4-3-5-19(20)24(29)32-2/h3-14H,1-2H3,(H,26,28)