[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl] 3-(3-carbamimidoylphenoxy)-2-propyl-4-sulfamoyl-benzoate

Systemtic Name: [4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl] 3-(3-carbamimidoylphenoxy)-2-propyl-4-sulfamoyl-benzoate Openeye Name: [4-[(1-ethanimidoyl-4-piperidyl)oxy]phenyl] 3-(3-carbamimidoylphenoxy)-2-propyl-4-sulfamoyl-benzoate CAS Name: 3-(3-carbamimidoylphenoxy)-2-propyl-4-sulfamoylbenzoic acid [4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]phenyl] ester IUPAC Name: [4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl] 3-(3-carbamimidoylphenoxy)-2-propyl-4-sulfamoylbenzoate Traditional Name: 3-(3-amidinophenoxy)-2-propyl-4-sulfamoyl-benzoic acid [4-[(1-acetimidoyl-4-piperidyl)oxy]phenyl] ester Formula: C30H35N5O6S MolecularWeight: 593.6938

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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)OC4CCN(CC4)C(=N)C

Isomeric SMILES

CCCC1=C(C=CC(=C1OC2=CC=CC(=C2)C(=N)N)S(=O)(=O)N)C(=O)OC3=CC=C(C=C3)OC4CCN(CC4)C(=N)C

InChI

InChI=1S/C30H35N5O6S/c1-3-5-25-26(12-13-27(42(34,37)38)28(25)40-24-7-4-6-20(18-24)29(32)33)30(36)41-22-10-8-21(9-11-22)39-23-14-16-35(17-15-23)19(2)31/h4,6-13,18,23,31H,3,5,14-17H2,1-2H3,(H3,32,33)(H2,34,37,38)