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

Systemtic Name: 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonylamino]thiophene-3-carboxamide Openeye Name: 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]thiophene-3-carboxamide CAS Name: 2-[[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-oxomethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]thiophene-3-carboxamide Formula: C21H19N3O4S2 MolecularWeight: 441.52326

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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=CS4)C(=O)N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=C(C=CS4)C(=O)N

InChI

InChI=1S/C21H19N3O4S2/c22-19(25)18-10-12-29-21(18)23-20(26)15-5-7-17(8-6-15)30(27,28)24-11-9-14-3-1-2-4-16(14)13-24/h1-8,10,12H,9,11,13H2,(H2,22,25)(H,23,26)