5-(ethoxymethyl)-9-(4-methylphenyl)sulfonyl-pyrido[3,4-b]indole-3-carboxylic acid

Systemtic Name: 5-(ethoxymethyl)-9-(4-methylphenyl)sulfonyl-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 5-(ethoxymethyl)-9-(p-tolylsulfonyl)pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 5-(ethoxymethyl)-9-(4-methylphenyl)sulfonyl-3-pyrido[3,4-b]indolecarboxylic acid IUPAC Name: 5-(ethoxymethyl)-9-(4-methylphenyl)sulfonylpyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 5-(ethoxymethyl)-9-tosyl-$b-carboline-3-carboxylic acid Formula: C22H20N2O5S MolecularWeight: 424.4696

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C2C(=CC=C1)N(C3=CN=C(C=C32)C(=O)O)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOCC1=C2C(=CC=C1)N(C3=CN=C(C=C32)C(=O)O)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C22H20N2O5S/c1-3-29-13-15-5-4-6-19-21(15)17-11-18(22(25)26)23-12-20(17)24(19)30(27,28)16-9-7-14(2)8-10-16/h4-12H,3,13H2,1-2H3,(H,25,26)