phenyl 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-3-carboxylate

Systemtic Name: phenyl 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-3-carboxylate Openeye Name: phenyl 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-3-carboxylate CAS Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-thiophenecarboxylic acid phenyl ester IUPAC Name: phenyl 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-3-carboxylate Traditional Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-3-carboxylic acid phenyl ester Formula: C20H17NO4S2 MolecularWeight: 399.48328

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC(=CS3)C(=O)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC(=CS3)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C20H17NO4S2/c22-20(25-18-8-2-1-3-9-18)17-12-19(26-14-17)27(23,24)21-11-10-15-6-4-5-7-16(15)13-21/h1-9,12,14H,10-11,13H2