[3-(1-aminocarbonylcyclohexyl)-1-[(1-carbamimidoyl-4-cyano-piperidin-4-yl)amino]-1-oxidanylidene-propan-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [3-(1-aminocarbonylcyclohexyl)-1-[(1-carbamimidoyl-4-cyano-piperidin-4-yl)amino]-1-oxidanylidene-propan-2-yl] 4-methylbenzenesulfonate Openeye Name: [2-[(1-carbamimidoyl-4-cyano-4-piperidyl)amino]-1-[(1-carbamoylcyclohexyl)methyl]-2-oxo-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-[(1-carbamimidoyl-4-cyano-4-piperidinyl)amino]-3-(1-carbamoylcyclohexyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-carbamimidoyl-4-cyanopiperidin-4-yl)amino]-3-(1-carbamoylcyclohexyl)-1-oxopropan-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[(1-amidino-4-cyano-4-piperidyl)amino]-1-[(1-carbamoylcyclohexyl)methyl]-2-keto-ethyl] ester Formula: C24H34N6O5S MolecularWeight: 518.62896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(CC2(CCCCC2)C(=O)N)C(=O)NC3(CCN(CC3)C(=N)N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(CC2(CCCCC2)C(=O)N)C(=O)NC3(CCN(CC3)C(=N)N)C#N

InChI

InChI=1S/C24H34N6O5S/c1-17-5-7-18(8-6-17)36(33,34)35-19(15-23(21(26)32)9-3-2-4-10-23)20(31)29-24(16-25)11-13-30(14-12-24)22(27)28/h5-8,19H,2-4,9-15H2,1H3,(H2,26,32)(H3,27,28)(H,29,31)