2-[2-(3-carbamimidoylphenoxy)ethyl-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]sulfamoyl]ethanoic acid

Systemtic Name: 2-[2-(3-carbamimidoylphenoxy)ethyl-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]sulfamoyl]ethanoic acid Openeye Name: 2-[2-(3-carbamimidoylphenoxy)ethyl-[4-[(1-ethanimidoyl-4-piperidyl)oxy]phenyl]sulfamoyl]acetic acid CAS Name: 2-[2-(3-carbamimidoylphenoxy)ethyl-[4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]phenyl]sulfamoyl]acetic acid IUPAC Name: 2-[2-(3-carbamimidoylphenoxy)ethyl-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]sulfamoyl]acetic acid Traditional Name: 2-[[4-[(1-acetimidoyl-4-piperidyl)oxy]phenyl]-[2-(3-amidinophenoxy)ethyl]sulfamoyl]acetic acid Formula: C24H31N5O6S MolecularWeight: 517.59784

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)OC2=CC=C(C=C2)N(CCOC3=CC=CC(=C3)C(=N)N)S(=O)(=O)CC(=O)O

Isomeric SMILES

CC(=N)N1CCC(CC1)OC2=CC=C(C=C2)N(CCOC3=CC=CC(=C3)C(=N)N)S(=O)(=O)CC(=O)O

InChI

InChI=1S/C24H31N5O6S/c1-17(25)28-11-9-21(10-12-28)35-20-7-5-19(6-8-20)29(36(32,33)16-23(30)31)13-14-34-22-4-2-3-18(15-22)24(26)27/h2-8,15,21,25H,9-14,16H2,1H3,(H3,26,27)(H,30,31)