tert-butyl 6-methoxy-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 6-methoxy-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)-6-methoxy-1-(1-methoxycarbonyl-2-methylsulfonyloxy-but-3-enyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate CAS Name: 9-(benzenesulfonyl)-6-methoxy-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)-6-methoxy-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)-6-methoxy-3,4-dihydro-1H-$b-carboline-2-carboxylic acid tert-butyl ester Formula: C30H36N2O10S2 MolecularWeight: 648.74424

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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=C2C=C(C=C3)OC)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=C2C=C(C=C3)OC)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C30H36N2O10S2/c1-8-24(42-43(7,35)36)25(28(33)40-6)27-26-21(16-17-31(27)29(34)41-30(2,3)4)22-18-19(39-5)14-15-23(22)32(26)44(37,38)20-12-10-9-11-13-20/h8-15,18,24-25,27H,1,16-17H2,2-7H3