tert-butyl 2-(4-methylphenyl)sulfonyl-1-(2-oxidanylideneethyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-9-carboxylate

Systemtic Name: tert-butyl 2-(4-methylphenyl)sulfonyl-1-(2-oxidanylideneethyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-9-carboxylate Openeye Name: tert-butyl 1-(2-oxoethyl)-2-(p-tolylsulfonyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-9-carboxylate CAS Name: 2-(4-methylphenyl)sulfonyl-1-(2-oxoethyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-9-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(4-methylphenyl)sulfonyl-1-(2-oxoethyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-9-carboxylate Traditional Name: 1-(2-ketoethyl)-2-tosyl-3,4-dihydro-1H-$b-carboline-9-carboxylic acid tert-butyl ester Formula: C25H28N2O5S MolecularWeight: 468.56522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2CC=O)N(C4=CC=CC=C34)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2CC=O)N(C4=CC=CC=C34)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H28N2O5S/c1-17-9-11-18(12-10-17)33(30,31)26-15-13-20-19-7-5-6-8-21(19)27(23(20)22(26)14-16-28)24(29)32-25(2,3)4/h5-12,16,22H,13-15H2,1-4H3