[3-cyano-3-[[2-[(1-methylindol-2-yl)carbonylamino]cyclohexyl]carbonylamino]propyl] methanesulfonate

Systemtic Name: [3-cyano-3-[[2-[(1-methylindol-2-yl)carbonylamino]cyclohexyl]carbonylamino]propyl] methanesulfonate Openeye Name: [3-cyano-3-[[2-[(1-methylindole-2-carbonyl)amino]cyclohexanecarbonyl]amino]propyl] methanesulfonate CAS Name: methanesulfonic acid [3-cyano-3-[[[2-[[(1-methyl-2-indolyl)-oxomethyl]amino]cyclohexyl]-oxomethyl]amino]propyl] ester IUPAC Name: [3-cyano-3-[[2-[(1-methylindole-2-carbonyl)amino]cyclohexanecarbonyl]amino]propyl] methanesulfonate Traditional Name: methanesulfonic acid [3-cyano-3-[[2-[(1-methylindole-2-carbonyl)amino]cyclohexanecarbonyl]amino]propyl] ester Formula: C22H28N4O5S MolecularWeight: 460.54652

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C=C1C(=O)NC3CCCCC3C(=O)NC(CCOS(=O)(=O)C)C#N

Isomeric SMILES

CN1C2=CC=CC=C2C=C1C(=O)NC3CCCCC3C(=O)NC(CCOS(=O)(=O)C)C#N

InChI

InChI=1S/C22H28N4O5S/c1-26-19-10-6-3-7-15(19)13-20(26)22(28)25-18-9-5-4-8-17(18)21(27)24-16(14-23)11-12-31-32(2,29)30/h3,6-7,10,13,16-18H,4-5,8-9,11-12H2,1-2H3,(H,24,27)(H,25,28)