2-(4-methoxyphenyl)sulfonyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(4-methoxyphenyl)sulfonyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 7-(tert-butoxycarbonylamino)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-(4-methoxyphenyl)sulfonyl-7-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(4-methoxyphenyl)sulfonyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 7-(tert-butoxycarbonylamino)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C22H26N2O7S MolecularWeight: 462.51604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC2=C(CC(N(C2)S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)O)C=C1

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC2=C(CC(N(C2)S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)O)C=C1

InChI

InChI=1S/C22H26N2O7S/c1-22(2,3)31-21(27)23-16-6-5-14-12-19(20(25)26)24(13-15(14)11-16)32(28,29)18-9-7-17(30-4)8-10-18/h5-11,19H,12-13H2,1-4H3,(H,23,27)(H,25,26)