ethyl 2-[[3-aminocarbonyl-5-chloranyl-4-(1-ethanimidoylpiperidin-4-yl)oxy-phenyl]-[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]sulfamoyl]ethanoate dihydrochloride

Systemtic Name: ethyl 2-[[3-aminocarbonyl-5-chloranyl-4-(1-ethanimidoylpiperidin-4-yl)oxy-phenyl]-[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]sulfamoyl]ethanoate dihydrochloride Openeye Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)allyl]-[3-carbamoyl-5-chloro-4-[(1-ethanimidoyl-4-piperidyl)oxy]phenyl]sulfamoyl]acetate dihydrochloride CAS Name: 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[3-carbamoyl-5-chloro-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]-[3-carbamoyl-5-chloro-4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]sulfamoyl]acetate dihydrochloride Traditional Name: 2-[[4-[(1-acetimidoyl-4-piperidyl)oxy]-3-carbamoyl-5-chloro-phenyl]-[(E)-3-(3-amidinophenyl)allyl]sulfamoyl]acetic acid ethyl ester dihydrochloride Formula: C28H37Cl3N6O6S MolecularWeight: 692.05398

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

InChI

InChI=1S/C28H35ClN6O6S.2ClH/c1-3-40-25(36)17-42(38,39)35(11-5-7-19-6-4-8-20(14-19)27(31)32)21-15-23(28(33)37)26(24(29)16-21)41-22-9-12-34(13-10-22)18(2)30;;/h4-8,14-16,22,30H,3,9-13,17H2,1-2H3,(H3,31,32)(H2,33,37);2*1H/b7-5+,30-18?;;