methyl 3-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]benzothiophene-2-carboxylate CAS Name: 3-[[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C26H22N2O5S2 MolecularWeight: 506.59328

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2S1)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2S1)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C26H22N2O5S2/c1-33-26(30)24-23(21-8-4-5-9-22(21)34-24)27-25(29)18-10-12-20(13-11-18)35(31,32)28-15-14-17-6-2-3-7-19(17)16-28/h2-13H,14-16H2,1H3,(H,27,29)