methanesulfonate; N'-[5-[3-[4-(1-methylindol-3-yl)-2,5-bis(oxidanylidene)pyrrol-3-yl]indol-1-yl]pentylsulfanyl]methanimidamide

Systemtic Name: methanesulfonate; N'-[5-[3-[4-(1-methylindol-3-yl)-2,5-bis(oxidanylidene)pyrrol-3-yl]indol-1-yl]pentylsulfanyl]methanimidamide Openeye Name: methanesulfonate; N'-[5-[3-[4-(1-methylindol-3-yl)-2,5-dioxo-pyrrol-3-yl]indol-1-yl]pentylsulfanyl]formamidine CAS Name: methanesulfonate; N'-[5-[3-[4-(1-methyl-3-indolyl)-2,5-dioxo-3-pyrrolyl]-1-indolyl]pentylthio]methanimidamide IUPAC Name: methanesulfonate; N'-[5-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]pentylsulfanyl]methanimidamide Traditional Name: N'-[5-[3-[2,5-diketo-4-(1-methylindol-3-yl)-3-pyrrolin-3-yl]indol-1-yl]pentylthio]formamidine mesylate Formula: C28H30N5O5S2- MolecularWeight: 580.6983

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCCCSN=CN.CS(=O)(=O)[O-]

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCCCS/N=C/N.CS(=O)(=O)[O-]

InChI

InChI=1S/C27H27N5O2S.CH4O3S/c1-31-15-20(18-9-3-5-11-22(18)31)24-25(27(34)30-26(24)33)21-16-32(23-12-6-4-10-19(21)23)13-7-2-8-14-35-29-17-28;1-5(2,3)4/h3-6,9-12,15-17H,2,7-8,13-14H2,1H3,(H2,28,29)(H,30,33,34);1H3,(H,2,3,4)/p-1