(phenylmethyl) 4-[3-(2-carbamimidoylphenoxy)-2-(ethylsulfonylamino)-1-phenyl-propoxy]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[3-(2-carbamimidoylphenoxy)-2-(ethylsulfonylamino)-1-phenyl-propoxy]piperidine-1-carboxylate Openeye Name: benzyl 4-[3-(2-carbamimidoylphenoxy)-2-(ethylsulfonylamino)-1-phenyl-propoxy]piperidine-1-carboxylate CAS Name: 4-[3-(2-carbamimidoylphenoxy)-2-(ethylsulfonylamino)-1-phenylpropoxy]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[3-(2-carbamimidoylphenoxy)-2-(ethylsulfonylamino)-1-phenylpropoxy]piperidine-1-carboxylate Traditional Name: 4-[3-(2-amidinophenoxy)-2-(esylamino)-1-phenyl-propoxy]piperidine-1-carboxylic acid benzyl ester Formula: C31H38N4O6S MolecularWeight: 594.72162

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC(COC1=CC=CC=C1C(=N)N)C(C2=CC=CC=C2)OC3CCN(CC3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCS(=O)(=O)NC(COC1=CC=CC=C1C(=N)N)C(C2=CC=CC=C2)OC3CCN(CC3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C31H38N4O6S/c1-2-42(37,38)34-27(22-39-28-16-10-9-15-26(28)30(32)33)29(24-13-7-4-8-14-24)41-25-17-19-35(20-18-25)31(36)40-21-23-11-5-3-6-12-23/h3-16,25,27,29,34H,2,17-22H2,1H3,(H3,32,33)