(4-piperidin-4-yloxyphenyl) 3-(3-carbamimidoylphenoxy)-2-propyl-4-sulfamoyl-benzoate

Systemtic Name: (4-piperidin-4-yloxyphenyl) 3-(3-carbamimidoylphenoxy)-2-propyl-4-sulfamoyl-benzoate Openeye Name: [4-(4-piperidyloxy)phenyl] 3-(3-carbamimidoylphenoxy)-2-propyl-4-sulfamoyl-benzoate CAS Name: 3-(3-carbamimidoylphenoxy)-2-propyl-4-sulfamoylbenzoic acid [4-(4-piperidinyloxy)phenyl] ester IUPAC Name: (4-piperidin-4-yloxyphenyl) 3-(3-carbamimidoylphenoxy)-2-propyl-4-sulfamoylbenzoate Traditional Name: 3-(3-amidinophenoxy)-2-propyl-4-sulfamoyl-benzoic acid [4-(4-piperidyloxy)phenyl] ester Formula: C28H32N4O6S MolecularWeight: 552.64188

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1OC2=CC=CC(=C2)C(=N)N)S(=O)(=O)N)C(=O)OC3=CC=C(C=C3)OC4CCNCC4

Isomeric SMILES

CCCC1=C(C=CC(=C1OC2=CC=CC(=C2)C(=N)N)S(=O)(=O)N)C(=O)OC3=CC=C(C=C3)OC4CCNCC4

InChI

InChI=1S/C28H32N4O6S/c1-2-4-23-24(28(33)38-20-9-7-19(8-10-20)36-21-13-15-32-16-14-21)11-12-25(39(31,34)35)26(23)37-22-6-3-5-18(17-22)27(29)30/h3,5-12,17,21,32H,2,4,13-16H2,1H3,(H3,29,30)(H2,31,34,35)