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

Systemtic Name: methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-phenyl-thiophene-2-carboxylate Openeye Name: methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-phenyl-thiophene-2-carboxylate CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-phenyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-phenylthiophene-2-carboxylate Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-phenyl-thiophene-2-carboxylic acid methyl ester Formula: C21H19NO4S2 MolecularWeight: 413.50986

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CS1)C2=CC=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

COC(=O)C1=C(C(=CS1)C2=CC=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H19NO4S2/c1-26-21(23)19-20(18(14-27-19)16-8-3-2-4-9-16)28(24,25)22-12-11-15-7-5-6-10-17(15)13-22/h2-10,14H,11-13H2,1H3