N-[1-[(1-carbamimidoyl-4-cyano-piperidin-4-yl)amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]morpholine-4-carboxamide; 4-methylbenzenesulfonic acid

Systemtic Name: N-[1-[(1-carbamimidoyl-4-cyano-piperidin-4-yl)amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]morpholine-4-carboxamide; 4-methylbenzenesulfonic acid Openeye Name: N-[2-[(1-carbamimidoyl-4-cyano-4-piperidyl)amino]-1-(cyclohexylmethyl)-2-oxo-ethyl]morpholine-4-carboxamide; 4-methylbenzenesulfonic acid CAS Name: N-[1-[(1-carbamimidoyl-4-cyano-4-piperidinyl)amino]-3-cyclohexyl-1-oxopropan-2-yl]-4-morpholinecarboxamide; 4-methylbenzenesulfonic acid IUPAC Name: N-[1-[(1-carbamimidoyl-4-cyanopiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide; 4-methylbenzenesulfonic acid Traditional Name: N-[2-[(1-amidino-4-cyano-4-piperidyl)amino]-1-(cyclohexylmethyl)-2-keto-ethyl]morpholine-4-carboxamide; tosylic acid Formula: C28H43N7O6S MolecularWeight: 605.74932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CCC(CC1)CC(C(=O)NC2(CCN(CC2)C(=N)N)C#N)NC(=O)N3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CCC(CC1)CC(C(=O)NC2(CCN(CC2)C(=N)N)C#N)NC(=O)N3CCOCC3

InChI

InChI=1S/C21H35N7O3.C7H8O3S/c22-15-21(6-8-27(9-7-21)19(23)24)26-18(29)17(14-16-4-2-1-3-5-16)25-20(30)28-10-12-31-13-11-28;1-6-2-4-7(5-3-6)11(8,9)10/h16-17H,1-14H2,(H3,23,24)(H,25,30)(H,26,29);2-5H,1H3,(H,8,9,10)