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

Systemtic Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[4-(1-ethanimidoylpiperidin-4-yl)oxy-2-methyl-phenyl]sulfamoyl]ethanoate dihydrochloride Openeye Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)allyl]-[4-[(1-ethanimidoyl-4-piperidyl)oxy]-2-methyl-phenyl]sulfamoyl]acetate dihydrochloride CAS Name: 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-2-methylphenyl]sulfamoyl]acetic acid ethyl ester dihydrochloride IUPAC Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[4-(1-ethanimidoylpiperidin-4-yl)oxy-2-methylphenyl]sulfamoyl]acetate dihydrochloride Traditional Name: 2-[[4-[(1-acetimidoyl-4-piperidyl)oxy]-2-methyl-phenyl]-[(E)-3-(3-amidinophenyl)allyl]sulfamoyl]acetic acid ethyl ester dihydrochloride Formula: C28H39Cl2N5O5S MolecularWeight: 628.61076

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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=C(C=C(C=C2)OC3CCN(CC3)C(=N)C)C.Cl.Cl

Isomeric SMILES

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

InChI

InChI=1S/C28H37N5O5S.2ClH/c1-4-37-27(34)19-39(35,36)33(14-6-8-22-7-5-9-23(18-22)28(30)31)26-11-10-25(17-20(26)2)38-24-12-15-32(16-13-24)21(3)29;;/h5-11,17-18,24,29H,4,12-16,19H2,1-3H3,(H3,30,31);2*1H/b8-6+,29-21?;;