2-[[3-bromanyl-4-(1-ethanimidoylpiperidin-4-yl)oxy-phenyl]-[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]sulfamoyl]ethanoic acid

Systemtic Name: 2-[[3-bromanyl-4-(1-ethanimidoylpiperidin-4-yl)oxy-phenyl]-[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]sulfamoyl]ethanoic acid Openeye Name: 2-[[3-bromo-4-[(1-ethanimidoyl-4-piperidyl)oxy]phenyl]-[(E)-3-(3-carbamimidoylphenyl)allyl]sulfamoyl]acetic acid CAS Name: 2-[[3-bromo-4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]phenyl]-[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]sulfamoyl]acetic acid IUPAC Name: 2-[[3-bromo-4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]-[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]sulfamoyl]acetic acid Traditional Name: 2-[[4-[(1-acetimidoyl-4-piperidyl)oxy]-3-bromo-phenyl]-[(E)-3-(3-amidinophenyl)allyl]sulfamoyl]acetic acid Formula: C25H30BrN5O5S MolecularWeight: 592.5052

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)OC2=C(C=C(C=C2)N(CC=CC3=CC(=CC=C3)C(=N)N)S(=O)(=O)CC(=O)O)Br

Isomeric SMILES

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

InChI

InChI=1S/C25H30BrN5O5S/c1-17(27)30-12-9-21(10-13-30)36-23-8-7-20(15-22(23)26)31(37(34,35)16-24(32)33)11-3-5-18-4-2-6-19(14-18)25(28)29/h2-8,14-15,21,27H,9-13,16H2,1H3,(H3,28,29)(H,32,33)/b5-3+,27-17?