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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OS(=O)(=O)N(CC=CC1=CC(=CC=C1)C(=N)N)C2=CC(=C(C=C2)OC3=CC4=CC=CN4C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H23ClN4O5S/c1-18(32)36-37(33,34)31(13-3-6-19-5-2-7-20(15-19)26(28)29)22-9-10-25(24(27)17-22)35-23-11-14-30-12-4-8-21(30)16-23/h2-12,14-17H,13H2,1H3,(H3,28,29)/b6-3+