2-[4-[4-(2-methylpropoxycarbonylamino)phenyl]phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[4-[4-(2-methylpropoxycarbonylamino)phenyl]phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[4-[4-(isobutoxycarbonylamino)phenyl]phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[4-[4-[[2-methylpropoxy(oxo)methyl]amino]phenyl]phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[4-[4-(2-methylpropoxycarbonylamino)phenyl]phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[4-[4-(isobutoxycarbonylamino)phenyl]phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C27H28N2O6S MolecularWeight: 508.58602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)NC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)N3CC4=CC=CC=C4CC3C(=O)O

Isomeric SMILES

CC(C)COC(=O)NC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)N3CC4=CC=CC=C4CC3C(=O)O

InChI

InChI=1S/C27H28N2O6S/c1-18(2)17-35-27(32)28-23-11-7-19(8-12-23)20-9-13-24(14-10-20)36(33,34)29-16-22-6-4-3-5-21(22)15-25(29)26(30)31/h3-14,18,25H,15-17H2,1-2H3,(H,28,32)(H,30,31)