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

Systemtic Name: tert-butyl 1-(1-methoxy-3-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)-9-(phenylsulfonyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate Openeye Name: tert-butyl 9-(benzenesulfonyl)-1-[1-[hydroxy(phenyl)methyl]-2-methoxy-2-oxo-ethyl]-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate CAS Name: 9-(benzenesulfonyl)-1-(1-hydroxy-3-methoxy-3-oxo-1-phenylpropan-2-yl)-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 9-(benzenesulfonyl)-1-(1-hydroxy-3-methoxy-3-oxo-1-phenylpropan-2-yl)-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate Traditional Name: 9-besyl-1-(1-carbomethoxy-2-hydroxy-2-phenyl-ethyl)-3,4-dihydro-1H-$b-carboline-2-carboxylic acid tert-butyl ester Formula: C32H34N2O7S MolecularWeight: 590.68656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1C(C(C3=CC=CC=C3)O)C(=O)OC)N(C4=CC=CC=C24)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1C(C(C3=CC=CC=C3)O)C(=O)OC)N(C4=CC=CC=C24)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C32H34N2O7S/c1-32(2,3)41-31(37)33-20-19-24-23-17-11-12-18-25(23)34(42(38,39)22-15-9-6-10-16-22)27(24)28(33)26(30(36)40-4)29(35)21-13-7-5-8-14-21/h5-18,26,28-29,35H,19-20H2,1-4H3