[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]ethanoate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]ethanoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 2-[[(E)-styryl]sulfonylamino]acetate CAS Name: 2-[[(E)-2-phenylethenyl]sulfonylamino]acetic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate Traditional Name: 2-[[(E)-styryl]sulfonylamino]acetic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)CNS(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)CNS(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O5S/c24-20(23-12-10-18-8-4-5-9-19(18)15-23)16-28-21(25)14-22-29(26,27)13-11-17-6-2-1-3-7-17/h1-9,11,13,22H,10,12,14-16H2/b13-11+