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

Systemtic Name: tert-butyl 1-(1-methoxy-3-methylsulfonyloxy-1-oxidanylidene-pent-4-en-2-yl)-9-(phenylsulfonyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate Openeye Name: tert-butyl 9-(benzenesulfonyl)-1-(1-methoxycarbonyl-2-methylsulfonyloxy-but-3-enyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate CAS Name: 9-(benzenesulfonyl)-1-(1-methoxy-3-methylsulfonyloxy-1-oxopent-4-en-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-methoxy-3-methylsulfonyloxy-1-oxopent-4-en-2-yl)-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate Traditional Name: 9-besyl-1-(1-carbomethoxy-2-methylsulfonyloxy-but-3-enyl)-3,4-dihydro-1H-$b-carboline-2-carboxylic acid tert-butyl ester Formula: C29H34N2O9S2 MolecularWeight: 618.71826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1C(C(C=C)OS(=O)(=O)C)C(=O)OC)N(C3=CC=CC=C23)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1C(C(C=C)OS(=O)(=O)C)C(=O)OC)N(C3=CC=CC=C23)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H34N2O9S2/c1-7-23(40-41(6,34)35)24(27(32)38-5)26-25-21(17-18-30(26)28(33)39-29(2,3)4)20-15-11-12-16-22(20)31(25)42(36,37)19-13-9-8-10-14-19/h7-16,23-24,26H,1,17-18H2,2-6H3