[1-oxidanylidene-2-(2-oxidanylideneethyl)-3-phenyl-9-(phenylmethyl)pyrido[3,4-b]indol-8-yl] methanesulfonate

Systemtic Name: [1-oxidanylidene-2-(2-oxidanylideneethyl)-3-phenyl-9-(phenylmethyl)pyrido[3,4-b]indol-8-yl] methanesulfonate Openeye Name: [9-benzyl-1-oxo-2-(2-oxoethyl)-3-phenyl-pyrido[3,4-b]indol-8-yl] methanesulfonate CAS Name: methanesulfonic acid [1-oxo-2-(2-oxoethyl)-3-phenyl-9-(phenylmethyl)-8-pyrido[3,4-b]indolyl] ester IUPAC Name: [9-benzyl-1-oxo-2-(2-oxoethyl)-3-phenylpyrido[3,4-b]indol-8-yl] methanesulfonate Traditional Name: methanesulfonic acid [9-benzyl-1-keto-2-(2-ketoethyl)-3-phenyl-$b-carbolin-8-yl] ester Formula: C27H22N2O5S MolecularWeight: 486.53898

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=CC2=C1N(C3=C2C=C(N(C3=O)CC=O)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CS(=O)(=O)OC1=CC=CC2=C1N(C3=C2C=C(N(C3=O)CC=O)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H22N2O5S/c1-35(32,33)34-24-14-8-13-21-22-17-23(20-11-6-3-7-12-20)28(15-16-30)27(31)26(22)29(25(21)24)18-19-9-4-2-5-10-19/h2-14,16-17H,15,18H2,1H3