6-isoquinolin-1-yloxy-4-(methoxymethyl)-9-(4-methylphenyl)sulfonyl-pyrido[3,4-b]indole-3-carboxylic acid

Systemtic Name: 6-isoquinolin-1-yloxy-4-(methoxymethyl)-9-(4-methylphenyl)sulfonyl-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 6-(1-isoquinolyloxy)-4-(methoxymethyl)-9-(p-tolylsulfonyl)pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 6-(1-isoquinolinyloxy)-4-(methoxymethyl)-9-(4-methylphenyl)sulfonyl-3-pyrido[3,4-b]indolecarboxylic acid IUPAC Name: 6-isoquinolin-1-yloxy-4-(methoxymethyl)-9-(4-methylphenyl)sulfonylpyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 6-(1-isoquinolyloxy)-4-(methoxymethyl)-9-tosyl-$b-carboline-3-carboxylic acid Formula: C30H23N3O6S MolecularWeight: 553.58512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)OC4=NC=CC5=CC=CC=C54)C6=C(C(=NC=C62)C(=O)O)COC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)OC4=NC=CC5=CC=CC=C54)C6=C(C(=NC=C62)C(=O)O)COC

InChI

InChI=1S/C30H23N3O6S/c1-18-7-10-21(11-8-18)40(36,37)33-25-12-9-20(39-29-22-6-4-3-5-19(22)13-14-31-29)15-23(25)27-24(17-38-2)28(30(34)35)32-16-26(27)33/h3-16H,17H2,1-2H3,(H,34,35)