[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 2-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 2-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 2-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 2-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-(2-besyl-3,4-dihydro-1H-isoquinolin-1-yl)acetic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C25H22N2O7S MolecularWeight: 494.51638

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)CC(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CC(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H22N2O7S/c28-24(19-8-6-9-20(15-19)27(30)31)17-34-25(29)16-23-22-12-5-4-7-18(22)13-14-26(23)35(32,33)21-10-2-1-3-11-21/h1-12,15,23H,13-14,16-17H2