3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-methyl-1,3-benzoxazol-5-yl)thiophene-2-carboxamide

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-methyl-1,3-benzoxazol-5-yl)thiophene-2-carboxamide Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-methyl-1,3-benzoxazol-5-yl)thiophene-2-carboxamide CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-thiophenecarboxamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-methyl-1,3-benzoxazol-5-yl)thiophene-2-carboxamide Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-methyl-1,3-benzoxazol-5-yl)thiophene-2-carboxamide Formula: C22H19N3O4S2 MolecularWeight: 453.53396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(O1)C=CC(=C2)NC(=O)C3=C(C=CS3)S(=O)(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=NC2=C(O1)C=CC(=C2)NC(=O)C3=C(C=CS3)S(=O)(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C22H19N3O4S2/c1-14-23-18-12-17(6-7-19(18)29-14)24-22(26)21-20(9-11-30-21)31(27,28)25-10-8-15-4-2-3-5-16(15)13-25/h2-7,9,11-12H,8,10,13H2,1H3,(H,24,26)