[2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl] 2-[2-(4-acetamidophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: [2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl] 2-[2-(4-acetamidophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: [2-(1-naphthylamino)-2-oxo-ethyl] 2-[2-(4-acetamidophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[2-(4-acetamidophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid [2-(1-naphthalenylamino)-2-oxoethyl] ester IUPAC Name: [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-[2-(4-acetamidophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[2-(4-acetamidophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid [2-keto-2-(1-naphthylamino)ethyl] ester Formula: C31H29N3O6S MolecularWeight: 571.64346

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2CC(=O)OCC(=O)NC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2CC(=O)OCC(=O)NC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C31H29N3O6S/c1-21(35)32-24-13-15-25(16-14-24)41(38,39)34-18-17-23-8-3-5-11-27(23)29(34)19-31(37)40-20-30(36)33-28-12-6-9-22-7-2-4-10-26(22)28/h2-16,29H,17-20H2,1H3,(H,32,35)(H,33,36)