phenyl 1-[[bis(azanyl)methylideneamino]methyl]-4-methylsulfonyloxy-4-phenyl-cyclohexane-1-carboxylate

Systemtic Name: phenyl 1-[[bis(azanyl)methylideneamino]methyl]-4-methylsulfonyloxy-4-phenyl-cyclohexane-1-carboxylate Openeye Name: phenyl 1-(guanidinomethyl)-4-methylsulfonyloxy-4-phenyl-cyclohexanecarboxylate CAS Name: 1-[(diaminomethylideneamino)methyl]-4-methylsulfonyloxy-4-phenyl-1-cyclohexanecarboxylic acid phenyl ester IUPAC Name: phenyl 1-[(diaminomethylideneamino)methyl]-4-methylsulfonyloxy-4-phenylcyclohexane-1-carboxylate Traditional Name: 1-(guanidinomethyl)-4-methylsulfonyloxy-4-phenyl-cyclohexanecarboxylic acid phenyl ester Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1(CCC(CC1)(CN=C(N)N)C(=O)OC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)OC1(CCC(CC1)(CN=C(N)N)C(=O)OC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O5S/c1-31(27,28)30-22(17-8-4-2-5-9-17)14-12-21(13-15-22,16-25-20(23)24)19(26)29-18-10-6-3-7-11-18/h2-11H,12-16H2,1H3,(H4,23,24,25)