methyl 2-(4-methylphenyl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate

Systemtic Name: methyl 2-(4-methylphenyl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate Openeye Name: methyl 2-(p-tolylsulfonyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate CAS Name: 2-(4-methylphenyl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-methylphenyl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate Traditional Name: 2-tosyl-1,3,4,9-tetrahydro-$b-carboline-3-carboxylic acid methyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(CC2C(=O)OC)C4=CC=CC=C4N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(CC2C(=O)OC)C4=CC=CC=C4N3

InChI

InChI=1S/C20H20N2O4S/c1-13-7-9-14(10-8-13)27(24,25)22-12-18-16(11-19(22)20(23)26-2)15-5-3-4-6-17(15)21-18/h3-10,19,21H,11-12H2,1-2H3