(2-oxidanylidene-2-phenylazanyl-ethyl) 2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (2-anilino-2-oxo-ethyl) 2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (2-anilino-2-keto-ethyl) ester Formula: C22H20N2O5S2 MolecularWeight: 456.5346

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CS3)C(=O)OCC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CS3)C(=O)OCC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H20N2O5S2/c25-20(23-18-9-2-1-3-10-18)15-29-22(26)19-13-16-7-4-5-8-17(16)14-24(19)31(27,28)21-11-6-12-30-21/h1-12,19H,13-15H2,(H,23,25)