2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-(3-chloranyl-4-indolizin-7-yloxy-phenyl)sulfamoyl]ethanoic acid

Systemtic Name: 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-(3-chloranyl-4-indolizin-7-yloxy-phenyl)sulfamoyl]ethanoic acid Openeye Name: 2-[[(E)-3-(3-carbamimidoylphenyl)allyl]-(3-chloro-4-indolizin-7-yloxy-phenyl)sulfamoyl]acetic acid CAS Name: 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[3-chloro-4-(7-indolizinyloxy)phenyl]sulfamoyl]acetic acid IUPAC Name: 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-(3-chloro-4-indolizin-7-yloxyphenyl)sulfamoyl]acetic acid Traditional Name: 2-[[(E)-3-(3-amidinophenyl)allyl]-(3-chloro-4-indolizin-7-yloxy-phenyl)sulfamoyl]acetic acid Formula: C26H23ClN4O5S MolecularWeight: 539.00262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=N)N)C=CCN(C2=CC(=C(C=C2)OC3=CC4=CC=CN4C=C3)Cl)S(=O)(=O)CC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)C(=N)N)/C=C/CN(C2=CC(=C(C=C2)OC3=CC4=CC=CN4C=C3)Cl)S(=O)(=O)CC(=O)O

InChI

InChI=1S/C26H23ClN4O5S/c27-23-16-21(8-9-24(23)36-22-10-13-30-11-3-7-20(30)15-22)31(37(34,35)17-25(32)33)12-2-5-18-4-1-6-19(14-18)26(28)29/h1-11,13-16H,12,17H2,(H3,28,29)(H,32,33)/b5-2+