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

Systemtic Name: tert-butyl 1-(1-methoxy-3-methylsulfonyloxy-1-oxidanylidene-3-phenyl-propan-2-yl)-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate Openeye Name: tert-butyl 1-(1-methoxycarbonyl-2-methylsulfonyloxy-2-phenyl-ethyl)-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate CAS Name: 1-(1-methoxy-3-methylsulfonyloxy-1-oxo-3-phenylpropan-2-yl)-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(1-methoxy-3-methylsulfonyloxy-1-oxo-3-phenylpropan-2-yl)-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate Traditional Name: 1-(1-carbomethoxy-2-methylsulfonyloxy-2-phenyl-ethyl)-9-methyl-3,4-dihydro-1H-$b-carboline-2-carboxylic acid tert-butyl ester Formula: C28H34N2O7S MolecularWeight: 542.64376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34N2O7S/c1-28(2,3)36-27(32)30-17-16-20-19-14-10-11-15-21(19)29(4)23(20)24(30)22(26(31)35-5)25(37-38(6,33)34)18-12-8-7-9-13-18/h7-15,22,24-25H,16-17H2,1-6H3