methyl 3-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonylamino]-5-phenyl-thiophene-2-carboxylate

Systemtic Name: methyl 3-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: methyl 3-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-oxomethyl]amino]-5-phenyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-5-phenyl-thiophene-2-carboxylic acid methyl ester Formula: C28H24N2O5S2 MolecularWeight: 532.63056

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

COC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C28H24N2O5S2/c1-35-28(32)26-24(17-25(36-26)20-8-3-2-4-9-20)29-27(31)21-11-13-23(14-12-21)37(33,34)30-16-15-19-7-5-6-10-22(19)18-30/h2-14,17H,15-16,18H2,1H3,(H,29,31)