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

Systemtic Name: 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonylamino]-5-phenyl-thiophene-3-carboxamide Openeye Name: 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-5-phenyl-thiophene-3-carboxamide CAS Name: 2-[[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-oxomethyl]amino]-5-phenyl-3-thiophenecarboxamide IUPAC Name: 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-5-phenylthiophene-3-carboxamide Traditional Name: 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-5-phenyl-thiophene-3-carboxamide Formula: C27H23N3O4S2 MolecularWeight: 517.61922

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=C(C=C(S4)C5=CC=CC=C5)C(=O)N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=C(C=C(S4)C5=CC=CC=C5)C(=O)N

InChI

InChI=1S/C27H23N3O4S2/c28-25(31)23-16-24(19-7-2-1-3-8-19)35-27(23)29-26(32)20-10-12-22(13-11-20)36(33,34)30-15-14-18-6-4-5-9-21(18)17-30/h1-13,16H,14-15,17H2,(H2,28,31)(H,29,32)