2-(4-tert-butylphenyl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid

Systemtic Name: 2-(4-tert-butylphenyl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid Openeye Name: 2-(4-tert-butylphenyl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid CAS Name: 2-(4-tert-butylphenyl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid IUPAC Name: 2-(4-tert-butylphenyl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid Traditional Name: 2-(4-tert-butylphenyl)sulfonyl-1,3,4,9-tetrahydro-$b-carboline-1-carboxylic acid Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2C(=O)O)NC4=CC=CC=C34

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2C(=O)O)NC4=CC=CC=C34

InChI

InChI=1S/C22H24N2O4S/c1-22(2,3)14-8-10-15(11-9-14)29(27,28)24-13-12-17-16-6-4-5-7-18(16)23-19(17)20(24)21(25)26/h4-11,20,23H,12-13H2,1-3H3,(H,25,26)