(4-methylsulfonyloxyphenyl)methyl 2-carbamimidoyl-2-ethyl-piperidine-1-carboxylate

Systemtic Name: (4-methylsulfonyloxyphenyl)methyl 2-carbamimidoyl-2-ethyl-piperidine-1-carboxylate Openeye Name: (4-methylsulfonyloxyphenyl)methyl 2-carbamimidoyl-2-ethyl-piperidine-1-carboxylate CAS Name: 2-carbamimidoyl-2-ethyl-1-piperidinecarboxylic acid (4-methylsulfonyloxyphenyl)methyl ester IUPAC Name: (4-methylsulfonyloxyphenyl)methyl 2-carbamimidoyl-2-ethylpiperidine-1-carboxylate Traditional Name: 2-amidino-2-ethyl-piperidine-1-carboxylic acid (4-methylsulfonyloxybenzyl) ester Formula: C17H25N3O5S MolecularWeight: 383.4625

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCCN1C(=O)OCC2=CC=C(C=C2)OS(=O)(=O)C)C(=N)N

Isomeric SMILES

CCC1(CCCCN1C(=O)OCC2=CC=C(C=C2)OS(=O)(=O)C)C(=N)N

InChI

InChI=1S/C17H25N3O5S/c1-3-17(15(18)19)10-4-5-11-20(17)16(21)24-12-13-6-8-14(9-7-13)25-26(2,22)23/h6-9H,3-5,10-12H2,1-2H3,(H3,18,19)