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

Systemtic Name: (phenylmethyl) 4-[2-(butylsulfonylamino)-3-(2-carbamimidoylphenoxy)-1-phenyl-propoxy]piperidine-1-carboxylate Openeye Name: benzyl 4-[2-(butylsulfonylamino)-3-(2-carbamimidoylphenoxy)-1-phenyl-propoxy]piperidine-1-carboxylate CAS Name: 4-[2-(butylsulfonylamino)-3-(2-carbamimidoylphenoxy)-1-phenylpropoxy]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[2-(butylsulfonylamino)-3-(2-carbamimidoylphenoxy)-1-phenylpropoxy]piperidine-1-carboxylate Traditional Name: 4-[3-(2-amidinophenoxy)-2-(butylsulfonylamino)-1-phenyl-propoxy]piperidine-1-carboxylic acid benzyl ester Formula: C33H42N4O6S MolecularWeight: 622.77478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCS(=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/C33H42N4O6S/c1-2-3-22-44(39,40)36-29(24-41-30-17-11-10-16-28(30)32(34)35)31(26-14-8-5-9-15-26)43-27-18-20-37(21-19-27)33(38)42-23-25-12-6-4-7-13-25/h4-17,27,29,31,36H,2-3,18-24H2,1H3,(H3,34,35)