2-[[2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]-3-naphthalen-1-yl-propanoic acid

Systemtic Name: 2-[[2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]-3-naphthalen-1-yl-propanoic acid Openeye Name: 2-[[2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-3-(1-naphthyl)propanoic acid CAS Name: 2-[[[2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-oxomethyl]amino]-3-(1-naphthalenyl)propanoic acid IUPAC Name: 2-[[2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-3-naphthalen-1-ylpropanoic acid Traditional Name: 2-[[2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-3-(1-naphthyl)propionic acid Formula: C31H30N2O7S MolecularWeight: 574.6441

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC(CC4=CC=CC5=CC=CC=C54)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC(CC4=CC=CC5=CC=CC=C54)C(=O)O)OC

InChI

InChI=1S/C31H30N2O7S/c1-39-28-15-14-24(18-29(28)40-2)41(37,38)33-19-23-10-4-3-9-21(23)17-27(33)30(34)32-26(31(35)36)16-22-12-7-11-20-8-5-6-13-25(20)22/h3-15,18,26-27H,16-17,19H2,1-2H3,(H,32,34)(H,35,36)