3-[3-[5-cyano-3-(1H-indol-3-yl)-2-oxidanylidene-1H-imidazol-4-yl]indol-1-yl]propyl methanesulfonate

Systemtic Name: 3-[3-[5-cyano-3-(1H-indol-3-yl)-2-oxidanylidene-1H-imidazol-4-yl]indol-1-yl]propyl methanesulfonate Openeye Name: 3-[3-[5-cyano-3-(1H-indol-3-yl)-2-oxo-1H-imidazol-4-yl]indol-1-yl]propyl methanesulfonate CAS Name: methanesulfonic acid 3-[3-[5-cyano-3-(1H-indol-3-yl)-2-oxo-1H-imidazol-4-yl]-1-indolyl]propyl ester IUPAC Name: 3-[3-[5-cyano-3-(1H-indol-3-yl)-2-oxo-1H-imidazol-4-yl]indol-1-yl]propyl methanesulfonate Traditional Name: methanesulfonic acid 3-[3-[5-cyano-3-(1H-indol-3-yl)-2-keto-4-imidazolin-4-yl]indol-1-yl]propyl ester Formula: C24H21N5O4S MolecularWeight: 475.51964

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCCN1C=C(C2=CC=CC=C21)C3=C(NC(=O)N3C4=CNC5=CC=CC=C54)C#N

Isomeric SMILES

CS(=O)(=O)OCCCN1C=C(C2=CC=CC=C21)C3=C(NC(=O)N3C4=CNC5=CC=CC=C54)C#N

InChI

InChI=1S/C24H21N5O4S/c1-34(31,32)33-12-6-11-28-15-18(16-7-3-5-10-21(16)28)23-20(13-25)27-24(30)29(23)22-14-26-19-9-4-2-8-17(19)22/h2-5,7-10,14-15,26H,6,11-12H2,1H3,(H,27,30)