[6-(phenylmethoxycarbonylamino)-1-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]-2,3-dihydroindol-3-yl]methyl methanesulfonate

Systemtic Name: [6-(phenylmethoxycarbonylamino)-1-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]-2,3-dihydroindol-3-yl]methyl methanesulfonate Openeye Name: [6-(benzyloxycarbonylamino)-1-(5,6,7-trimethoxy-1H-indole-2-carbonyl)indolin-3-yl]methyl methanesulfonate CAS Name: methanesulfonic acid [1-[oxo-(5,6,7-trimethoxy-1H-indol-2-yl)methyl]-6-(phenylmethoxycarbonylamino)-2,3-dihydroindol-3-yl]methyl ester IUPAC Name: [6-(phenylmethoxycarbonylamino)-1-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-2,3-dihydroindol-3-yl]methyl methanesulfonate Traditional Name: methanesulfonic acid [6-(benzyloxycarbonylamino)-1-(5,6,7-trimethoxy-1H-indole-2-carbonyl)indolin-3-yl]methyl ester Formula: C30H31N3O9S MolecularWeight: 609.64684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC(C4=C3C=C(C=C4)NC(=O)OCC5=CC=CC=C5)COS(=O)(=O)C)OC)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC(C4=C3C=C(C=C4)NC(=O)OCC5=CC=CC=C5)COS(=O)(=O)C)OC)OC

InChI

InChI=1S/C30H31N3O9S/c1-38-25-13-19-12-23(32-26(19)28(40-3)27(25)39-2)29(34)33-15-20(17-42-43(4,36)37)22-11-10-21(14-24(22)33)31-30(35)41-16-18-8-6-5-7-9-18/h5-14,20,32H,15-17H2,1-4H3,(H,31,35)