(2-oxidanylidene-2-phenylazanyl-ethyl) 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanoate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanoate Openeye Name: (2-anilino-2-oxo-ethyl) 2-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)acetic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)acetate Traditional Name: 2-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid (2-anilino-2-keto-ethyl) ester Formula: C23H22N2O5S2 MolecularWeight: 470.56118

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)CC(=O)OCC(=O)NC3=CC=CC=C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CC(=O)OCC(=O)NC3=CC=CC=C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C23H22N2O5S2/c26-21(24-18-8-2-1-3-9-18)16-30-22(27)15-20-19-10-5-4-7-17(19)12-13-25(20)32(28,29)23-11-6-14-31-23/h1-11,14,20H,12-13,15-16H2,(H,24,26)