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

Systemtic Name: butyl 4-[[5-[(4-bromophenyl)sulfonyl-methyl-amino]-1-benzothiophen-2-yl]carbonylamino]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C27H25BrN2O5S2 MolecularWeight: 601.5318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=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

CCCCOC(=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/C27H25BrN2O5S2/c1-3-4-15-35-27(32)18-5-9-21(10-6-18)29-26(31)25-17-19-16-22(11-14-24(19)36-25)30(2)37(33,34)23-12-7-20(28)8-13-23/h5-14,16-17H,3-4,15H2,1-2H3,(H,29,31)