methyl 4-[(2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)carbonylamino]benzoate

Systemtic Name: methyl 4-[(2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)carbonylamino]benzoate Openeye Name: methyl 4-[[2-(2-naphthylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]benzoate CAS Name: 4-[[[2-(2-naphthalenylsulfonyl)-3,4-dihydro-1H-isoquinolin-3-yl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)amino]benzoate Traditional Name: 4-[[2-(2-naphthylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]benzoic acid methyl ester Formula: C28H24N2O5S MolecularWeight: 500.56556

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C28H24N2O5S/c1-35-28(32)20-10-13-24(14-11-20)29-27(31)26-17-22-8-4-5-9-23(22)18-30(26)36(33,34)25-15-12-19-6-2-3-7-21(19)16-25/h2-16,26H,17-18H2,1H3,(H,29,31)