ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[3-chloranyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxy-phenyl]sulfamoyl]ethanoate trihydrochloride

Systemtic Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[3-chloranyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxy-phenyl]sulfamoyl]ethanoate trihydrochloride Openeye Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)allyl]-[3-chloro-4-[[1-(3-pyridylmethyl)-4-piperidyl]oxy]phenyl]sulfamoyl]acetate trihydrochloride CAS Name: 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[3-chloro-4-[[1-(3-pyridinylmethyl)-4-piperidinyl]oxy]phenyl]sulfamoyl]acetic acid ethyl ester trihydrochloride IUPAC Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[3-chloro-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxyphenyl]sulfamoyl]acetate trihydrochloride Traditional Name: 2-[[(E)-3-(3-amidinophenyl)allyl]-[3-chloro-4-[[1-(3-pyridylmethyl)-4-piperidyl]oxy]phenyl]sulfamoyl]acetic acid ethyl ester trihydrochloride Formula: C31H39Cl4N5O5S MolecularWeight: 735.54886

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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)CC4=CN=CC=C4)Cl.Cl.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)CC4=CN=CC=C4)Cl.Cl.Cl.Cl

InChI

InChI=1S/C31H36ClN5O5S.3ClH/c1-2-41-30(38)22-43(39,40)37(15-5-8-23-6-3-9-25(18-23)31(33)34)26-10-11-29(28(32)19-26)42-27-12-16-36(17-13-27)21-24-7-4-14-35-20-24;;;/h3-11,14,18-20,27H,2,12-13,15-17,21-22H2,1H3,(H3,33,34);3*1H/b8-5+;;;