methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-(4-methylphenyl)thiophene-2-carboxylate

Systemtic Name: methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-(4-methylphenyl)thiophene-2-carboxylate Openeye Name: methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-(p-tolyl)thiophene-2-carboxylate CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-(4-methylphenyl)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-(4-methylphenyl)thiophene-2-carboxylate Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-(p-tolyl)thiophene-2-carboxylic acid methyl ester Formula: C22H21NO4S2 MolecularWeight: 427.53644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C2S(=O)(=O)N3CCC4=CC=CC=C4C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C2S(=O)(=O)N3CCC4=CC=CC=C4C3)C(=O)OC

InChI

InChI=1S/C22H21NO4S2/c1-15-7-9-17(10-8-15)19-14-28-20(22(24)27-2)21(19)29(25,26)23-12-11-16-5-3-4-6-18(16)13-23/h3-10,14H,11-13H2,1-2H3