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

Systemtic Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[3-chloranyl-4-(1-pyridin-2-ylpiperidin-4-yl)oxy-phenyl]sulfamoyl]ethanoate dihydrochloride Openeye Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)allyl]-[3-chloro-4-[[1-(2-pyridyl)-4-piperidyl]oxy]phenyl]sulfamoyl]acetate dihydrochloride CAS Name: 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[3-chloro-4-[[1-(2-pyridinyl)-4-piperidinyl]oxy]phenyl]sulfamoyl]acetic acid ethyl ester dihydrochloride IUPAC Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[3-chloro-4-(1-pyridin-2-ylpiperidin-4-yl)oxyphenyl]sulfamoyl]acetate dihydrochloride Traditional Name: 2-[[(E)-3-(3-amidinophenyl)allyl]-[3-chloro-4-[[1-(2-pyridyl)-4-piperidyl]oxy]phenyl]sulfamoyl]acetic acid ethyl ester dihydrochloride Formula: C30H36Cl3N5O5S MolecularWeight: 685.06134

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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)C4=CC=CC=N4)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)C4=CC=CC=N4)Cl.Cl.Cl

InChI

InChI=1S/C30H34ClN5O5S.2ClH/c1-2-40-29(37)21-42(38,39)36(16-6-8-22-7-5-9-23(19-22)30(32)33)24-11-12-27(26(31)20-24)41-25-13-17-35(18-14-25)28-10-3-4-15-34-28;;/h3-12,15,19-20,25H,2,13-14,16-18,21H2,1H3,(H3,32,33);2*1H/b8-6+;;