N-(2-bromanyl-4-methyl-phenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide CAS Name: N-(2-bromo-4-methylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-thiophenecarboxamide IUPAC Name: N-(2-bromo-4-methylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide Formula: C21H19BrN2O3S2 MolecularWeight: 491.42116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=C(C=CS2)S(=O)(=O)N3CCC4=CC=CC=C4C3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=C(C=CS2)S(=O)(=O)N3CCC4=CC=CC=C4C3)Br

InChI

InChI=1S/C21H19BrN2O3S2/c1-14-6-7-18(17(22)12-14)23-21(25)20-19(9-11-28-20)29(26,27)24-10-8-15-4-2-3-5-16(15)13-24/h2-7,9,11-12H,8,10,13H2,1H3,(H,23,25)