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

Systemtic Name: (phenylmethyl) 4-[3-(2-carbamimidoylphenoxy)-2-(naphthalen-2-ylsulfonylamino)-1-phenyl-propoxy]piperidine-1-carboxylate Openeye Name: benzyl 4-[3-(2-carbamimidoylphenoxy)-2-(2-naphthylsulfonylamino)-1-phenyl-propoxy]piperidine-1-carboxylate CAS Name: 4-[3-(2-carbamimidoylphenoxy)-2-(2-naphthalenylsulfonylamino)-1-phenylpropoxy]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[3-(2-carbamimidoylphenoxy)-2-(naphthalen-2-ylsulfonylamino)-1-phenylpropoxy]piperidine-1-carboxylate Traditional Name: 4-[3-(2-amidinophenoxy)-2-(2-naphthylsulfonylamino)-1-phenyl-propoxy]piperidine-1-carboxylic acid benzyl ester Formula: C39H40N4O6S MolecularWeight: 692.8231

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC(C2=CC=CC=C2)C(COC3=CC=CC=C3C(=N)N)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4)C(=O)OCC6=CC=CC=C6

Isomeric SMILES

C1CN(CCC1OC(C2=CC=CC=C2)C(COC3=CC=CC=C3C(=N)N)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4)C(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C39H40N4O6S/c40-38(41)34-17-9-10-18-36(34)47-27-35(42-50(45,46)33-20-19-29-13-7-8-16-31(29)25-33)37(30-14-5-2-6-15-30)49-32-21-23-43(24-22-32)39(44)48-26-28-11-3-1-4-12-28/h1-20,25,32,35,37,42H,21-24,26-27H2,(H3,40,41)