[2-(4-carbamimidoylsulfanylbutyl)-1H-indol-3-yl] [4-(1-methylindol-3-yl)-2,5-bis(oxidanylidene)pyrrol-3-yl]methanesulfonate

Systemtic Name: [2-(4-carbamimidoylsulfanylbutyl)-1H-indol-3-yl] [4-(1-methylindol-3-yl)-2,5-bis(oxidanylidene)pyrrol-3-yl]methanesulfonate Openeye Name: [2-(4-carbamimidoylsulfanylbutyl)-1H-indol-3-yl] [4-(1-methylindol-3-yl)-2,5-dioxo-pyrrol-3-yl]methanesulfonate CAS Name: [4-(1-methyl-3-indolyl)-2,5-dioxo-3-pyrrolyl]methanesulfonic acid [2-[4-(carbamimidoylthio)butyl]-1H-indol-3-yl] ester IUPAC Name: [2-(4-carbamimidoylsulfanylbutyl)-1H-indol-3-yl] [4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]methanesulfonate Traditional Name: [2,5-diketo-4-(1-methylindol-3-yl)-3-pyrrolin-3-yl]methanesulfonic acid [2-[4-(amidinothio)butyl]-1H-indol-3-yl] ester Formula: C27H27N5O5S2 MolecularWeight: 565.66378

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)CS(=O)(=O)OC4=C(NC5=CC=CC=C54)CCCCSC(=N)N

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)CS(=O)(=O)OC4=C(NC5=CC=CC=C54)CCCCSC(=N)N

InChI

InChI=1S/C27H27N5O5S2/c1-32-14-18(16-8-3-5-12-22(16)32)23-19(25(33)31-26(23)34)15-39(35,36)37-24-17-9-2-4-10-20(17)30-21(24)11-6-7-13-38-27(28)29/h2-5,8-10,12,14,30H,6-7,11,13,15H2,1H3,(H3,28,29)(H,31,33,34)