tert-butyl 1-(2-methoxy-2-oxidanylidene-ethyl)-9-(phenylsulfonyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate

Systemtic Name: tert-butyl 1-(2-methoxy-2-oxidanylidene-ethyl)-9-(phenylsulfonyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate Openeye Name: tert-butyl 9-(benzenesulfonyl)-1-(2-methoxy-2-oxo-ethyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate CAS Name: 9-(benzenesulfonyl)-1-(2-methoxy-2-oxoethyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 9-(benzenesulfonyl)-1-(2-methoxy-2-oxoethyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate Traditional Name: 9-besyl-1-(2-keto-2-methoxy-ethyl)-3,4-dihydro-1H-$b-carboline-2-carboxylic acid tert-butyl ester Formula: C25H28N2O6S MolecularWeight: 484.56462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1CC(=O)OC)N(C3=CC=CC=C23)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1CC(=O)OC)N(C3=CC=CC=C23)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H28N2O6S/c1-25(2,3)33-24(29)26-15-14-19-18-12-8-9-13-20(18)27(23(19)21(26)16-22(28)32-4)34(30,31)17-10-6-5-7-11-17/h5-13,21H,14-16H2,1-4H3