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

Systemtic Name: 2-[[(E)-3-(3-carbamimidoylphenyl)prop-1-enyl]-[4-(1-ethanimidoylpiperidin-4-yl)oxy-3-(methylcarbamoyl)phenyl]sulfamoyl]ethanoic acid Openeye Name: 2-[[(E)-3-(3-carbamimidoylphenyl)prop-1-enyl]-[4-[(1-ethanimidoyl-4-piperidyl)oxy]-3-(methylcarbamoyl)phenyl]sulfamoyl]acetic acid CAS Name: 2-[[(E)-3-(3-carbamimidoylphenyl)prop-1-enyl]-[4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-3-(methylcarbamoyl)phenyl]sulfamoyl]acetic acid IUPAC Name: 2-[[(E)-3-(3-carbamimidoylphenyl)prop-1-enyl]-[4-(1-ethanimidoylpiperidin-4-yl)oxy-3-(methylcarbamoyl)phenyl]sulfamoyl]acetic acid Traditional Name: 2-[[4-[(1-acetimidoyl-4-piperidyl)oxy]-3-(methylcarbamoyl)phenyl]-[(E)-3-(3-amidinophenyl)prop-1-enyl]sulfamoyl]acetic acid Formula: C27H34N6O6S MolecularWeight: 570.66046

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)OC2=C(C=C(C=C2)N(C=CCC3=CC=CC(=C3)C(=N)N)S(=O)(=O)CC(=O)O)C(=O)NC

Isomeric SMILES

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

InChI

InChI=1S/C27H34N6O6S/c1-18(28)32-13-10-22(11-14-32)39-24-9-8-21(16-23(24)27(36)31-2)33(40(37,38)17-25(34)35)12-4-6-19-5-3-7-20(15-19)26(29)30/h3-5,7-9,12,15-16,22,28H,6,10-11,13-14,17H2,1-2H3,(H3,29,30)(H,31,36)(H,34,35)/b12-4+,28-18?