2-[methylsulfonyl-[4-[(1-piperidin-4-ylimidazol-4-yl)carbamoyl]cyclohexyl]amino]ethanoic acid

Systemtic Name: 2-[methylsulfonyl-[4-[(1-piperidin-4-ylimidazol-4-yl)carbamoyl]cyclohexyl]amino]ethanoic acid Openeye Name: 2-[methylsulfonyl-[4-[[1-(4-piperidyl)imidazol-4-yl]carbamoyl]cyclohexyl]amino]acetic acid CAS Name: 2-[methylsulfonyl-[4-[oxo-[[1-(4-piperidinyl)-4-imidazolyl]amino]methyl]cyclohexyl]amino]acetic acid IUPAC Name: 2-[methylsulfonyl-[4-[(1-piperidin-4-ylimidazol-4-yl)carbamoyl]cyclohexyl]amino]acetic acid Traditional Name: 2-[mesyl-[4-[[1-(4-piperidyl)imidazol-4-yl]carbamoyl]cyclohexyl]amino]acetic acid Formula: C18H29N5O5S MolecularWeight: 427.51836

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)O)C1CCC(CC1)C(=O)NC2=CN(C=N2)C3CCNCC3

Isomeric SMILES

CS(=O)(=O)N(CC(=O)O)C1CCC(CC1)C(=O)NC2=CN(C=N2)C3CCNCC3

InChI

InChI=1S/C18H29N5O5S/c1-29(27,28)23(11-17(24)25)15-4-2-13(3-5-15)18(26)21-16-10-22(12-20-16)14-6-8-19-9-7-14/h10,12-15,19H,2-9,11H2,1H3,(H,21,26)(H,24,25)