naphthalen-2-yl 2-carbamimidoyl-1-methylsulfonyloxy-4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate

Systemtic Name: naphthalen-2-yl 2-carbamimidoyl-1-methylsulfonyloxy-4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate Openeye Name: 2-naphthyl 4-(benzyloxycarbonylaminomethyl)-2-carbamimidoyl-1-methylsulfonyloxy-cyclohexanecarboxylate CAS Name: 2-carbamimidoyl-1-methylsulfonyloxy-4-(phenylmethoxycarbonylaminomethyl)-1-cyclohexanecarboxylic acid 2-naphthalenyl ester IUPAC Name: naphthalen-2-yl 2-carbamimidoyl-1-methylsulfonyloxy-4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate Traditional Name: 2-amidino-4-(benzyloxycarbonylaminomethyl)-1-methylsulfonyloxy-cyclohexanecarboxylic acid 2-naphthyl ester Formula: C28H31N3O7S MolecularWeight: 553.62664

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1(CCC(CC1C(=N)N)CNC(=O)OCC2=CC=CC=C2)C(=O)OC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CS(=O)(=O)OC1(CCC(CC1C(=N)N)CNC(=O)OCC2=CC=CC=C2)C(=O)OC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C28H31N3O7S/c1-39(34,35)38-28(26(32)37-23-12-11-21-9-5-6-10-22(21)16-23)14-13-20(15-24(28)25(29)30)17-31-27(33)36-18-19-7-3-2-4-8-19/h2-12,16,20,24H,13-15,17-18H2,1H3,(H3,29,30)(H,31,33)