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

Systemtic Name: [1-oxidanylidene-3-phenyl-9-(phenylmethyl)-2-prop-2-enyl-pyrido[3,4-b]indol-8-yl] methanesulfonate Openeye Name: (2-allyl-9-benzyl-1-oxo-3-phenyl-pyrido[3,4-b]indol-8-yl) methanesulfonate CAS Name: methanesulfonic acid [1-oxo-3-phenyl-9-(phenylmethyl)-2-prop-2-enyl-8-pyrido[3,4-b]indolyl] ester IUPAC Name: (9-benzyl-1-oxo-3-phenyl-2-prop-2-enylpyrido[3,4-b]indol-8-yl) methanesulfonate Traditional Name: methanesulfonic acid (2-allyl-9-benzyl-1-keto-3-phenyl-$b-carbolin-8-yl) ester Formula: C28H24N2O4S MolecularWeight: 484.56616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H24N2O4S/c1-3-17-29-24(21-13-8-5-9-14-21)18-23-22-15-10-16-25(34-35(2,32)33)26(22)30(27(23)28(29)31)19-20-11-6-4-7-12-20/h3-16,18H,1,17,19H2,2H3