2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[3-chloranyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]sulfamoyl]ethanoic acid

Systemtic Name: 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[3-chloranyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]sulfamoyl]ethanoic acid Openeye Name: 2-[[(E)-3-(3-carbamimidoylphenyl)allyl]-[3-chloro-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]sulfamoyl]acetic acid CAS Name: 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[3-chloro-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]sulfamoyl]acetic acid IUPAC Name: 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[3-chloro-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]sulfamoyl]acetic acid Traditional Name: 2-[[(E)-3-(3-amidinophenyl)allyl]-[3-chloro-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]sulfamoyl]acetic acid Formula: C26H31ClN4O5S MolecularWeight: 547.06614

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCC1CC(C2)OC3=C(C=C(C=C3)N(CC=CC4=CC(=CC=C4)C(=N)N)S(=O)(=O)CC(=O)O)Cl

Isomeric SMILES

CN1C2CCC1CC(C2)OC3=C(C=C(C=C3)N(C/C=C/C4=CC(=CC=C4)C(=N)N)S(=O)(=O)CC(=O)O)Cl

InChI

InChI=1S/C26H31ClN4O5S/c1-30-19-7-8-20(30)14-22(13-19)36-24-10-9-21(15-23(24)27)31(37(34,35)16-25(32)33)11-3-5-17-4-2-6-18(12-17)26(28)29/h2-6,9-10,12,15,19-20,22H,7-8,11,13-14,16H2,1H3,(H3,28,29)(H,32,33)/b5-3+