[2-(naphthalen-2-ylamino)-2-oxidanylidene-ethyl] 2-(5-bromanyl-2-ethoxy-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: [2-(naphthalen-2-ylamino)-2-oxidanylidene-ethyl] 2-(5-bromanyl-2-ethoxy-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: [2-(2-naphthylamino)-2-oxo-ethyl] 2-(5-bromo-2-ethoxy-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-(5-bromo-2-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-(2-naphthalenylamino)-2-oxoethyl] ester IUPAC Name: [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(5-bromo-2-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-(5-bromo-2-ethoxy-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-keto-2-(2-naphthylamino)ethyl] ester Formula: C30H27BrN2O6S MolecularWeight: 623.51418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)OCC(=O)NC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)OCC(=O)NC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C30H27BrN2O6S/c1-2-38-27-14-12-24(31)17-28(27)40(36,37)33-18-23-10-6-5-9-22(23)16-26(33)30(35)39-19-29(34)32-25-13-11-20-7-3-4-8-21(20)15-25/h3-15,17,26H,2,16,18-19H2,1H3,(H,32,34)