ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[4-(1-ethanimidoylpiperidin-4-yl)oxy-3-fluoranyl-phenyl]sulfamoyl]ethanoate dihydrochloride

Systemtic Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[4-(1-ethanimidoylpiperidin-4-yl)oxy-3-fluoranyl-phenyl]sulfamoyl]ethanoate dihydrochloride Openeye Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)allyl]-[4-[(1-ethanimidoyl-4-piperidyl)oxy]-3-fluoro-phenyl]sulfamoyl]acetate dihydrochloride CAS Name: 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[3-fluoro-4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]phenyl]sulfamoyl]acetic acid ethyl ester dihydrochloride IUPAC Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[4-(1-ethanimidoylpiperidin-4-yl)oxy-3-fluorophenyl]sulfamoyl]acetate dihydrochloride Traditional Name: 2-[[4-[(1-acetimidoyl-4-piperidyl)oxy]-3-fluoro-phenyl]-[(E)-3-(3-amidinophenyl)allyl]sulfamoyl]acetic acid ethyl ester dihydrochloride Formula: C27H36Cl2FN5O5S MolecularWeight: 632.574643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CS(=O)(=O)N(CC=CC1=CC(=CC=C1)C(=N)N)C2=CC(=C(C=C2)OC3CCN(CC3)C(=N)C)F.Cl.Cl

Isomeric SMILES

CCOC(=O)CS(=O)(=O)N(C/C=C/C1=CC(=CC=C1)C(=N)N)C2=CC(=C(C=C2)OC3CCN(CC3)C(=N)C)F.Cl.Cl

InChI

InChI=1S/C27H34FN5O5S.2ClH/c1-3-37-26(34)18-39(35,36)33(13-5-7-20-6-4-8-21(16-20)27(30)31)22-9-10-25(24(28)17-22)38-23-11-14-32(15-12-23)19(2)29;;/h4-10,16-17,23,29H,3,11-15,18H2,1-2H3,(H3,30,31);2*1H/b7-5+,29-19?;;