ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-(3-fluoranyl-4-piperidin-4-yloxy-phenyl)sulfamoyl]ethanoate dihydrochloride

Systemtic Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-(3-fluoranyl-4-piperidin-4-yloxy-phenyl)sulfamoyl]ethanoate dihydrochloride Openeye Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)allyl]-[3-fluoro-4-(4-piperidyloxy)phenyl]sulfamoyl]acetate dihydrochloride CAS Name: 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[3-fluoro-4-(4-piperidinyloxy)phenyl]sulfamoyl]acetic acid ethyl ester dihydrochloride IUPAC Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-(3-fluoro-4-piperidin-4-yloxyphenyl)sulfamoyl]acetate dihydrochloride Traditional Name: 2-[[(E)-3-(3-amidinophenyl)allyl]-[3-fluoro-4-(4-piperidyloxy)phenyl]sulfamoyl]acetic acid ethyl ester dihydrochloride Formula: C25H33Cl2FN4O5S MolecularWeight: 591.522723

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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)OC3CCNCC3)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)OC3CCNCC3)F.Cl.Cl

InChI

InChI=1S/C25H31FN4O5S.2ClH/c1-2-34-24(31)17-36(32,33)30(14-4-6-18-5-3-7-19(15-18)25(27)28)20-8-9-23(22(26)16-20)35-21-10-12-29-13-11-21;;/h3-9,15-16,21,29H,2,10-14,17H2,1H3,(H3,27,28);2*1H/b6-4+;;