methyl 2-[4-carbamimidoyl-1-methylsulfonyloxy-4-(phenylmethoxycarbonylaminomethyl)cyclohexyl]carbonyloxybenzoate

Systemtic Name: methyl 2-[4-carbamimidoyl-1-methylsulfonyloxy-4-(phenylmethoxycarbonylaminomethyl)cyclohexyl]carbonyloxybenzoate Openeye Name: methyl 2-[4-(benzyloxycarbonylaminomethyl)-4-carbamimidoyl-1-methylsulfonyloxy-cyclohexanecarbonyl]oxybenzoate CAS Name: 2-[[4-carbamimidoyl-1-methylsulfonyloxy-4-(phenylmethoxycarbonylaminomethyl)cyclohexyl]-oxomethoxy]benzoic acid methyl ester IUPAC Name: methyl 2-[4-carbamimidoyl-1-methylsulfonyloxy-4-(phenylmethoxycarbonylaminomethyl)cyclohexanecarbonyl]oxybenzoate Traditional Name: 2-[4-amidino-4-(benzyloxycarbonylaminomethyl)-1-methylsulfonyloxy-cyclohexanecarbonyl]oxybenzoic acid methyl ester Formula: C26H31N3O9S MolecularWeight: 561.60404

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1OC(=O)C2(CCC(CC2)(CNC(=O)OCC3=CC=CC=C3)C(=N)N)OS(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC=CC=C1OC(=O)C2(CCC(CC2)(CNC(=O)OCC3=CC=CC=C3)C(=N)N)OS(=O)(=O)C

InChI

InChI=1S/C26H31N3O9S/c1-35-21(30)19-10-6-7-11-20(19)37-23(31)26(38-39(2,33)34)14-12-25(13-15-26,22(27)28)17-29-24(32)36-16-18-8-4-3-5-9-18/h3-11H,12-17H2,1-2H3,(H3,27,28)(H,29,32)