[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 4-[(5-chloranylthiophen-2-yl)sulfonylamino]benzoate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 4-[(5-chloranylthiophen-2-yl)sulfonylamino]benzoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 4-[(5-chloro-2-thienyl)sulfonylamino]benzoate CAS Name: 4-[(5-chloro-2-thiophenyl)sulfonylamino]benzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 4-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate Traditional Name: 4-[(5-chloro-2-thienyl)sulfonylamino]benzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C22H19ClN2O5S2 MolecularWeight: 490.97966

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(S4)Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C22H19ClN2O5S2/c23-19-9-10-21(31-19)32(28,29)24-18-7-5-16(6-8-18)22(27)30-14-20(26)25-12-11-15-3-1-2-4-17(15)13-25/h1-10,24H,11-14H2