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

Systemtic Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[3-chloranyl-4-[1-(ethyliminomethyl)piperidin-4-yl]oxy-phenyl]sulfamoyl]ethanoate Openeye Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)allyl]-[3-chloro-4-[[1-(ethyliminomethyl)-4-piperidyl]oxy]phenyl]sulfamoyl]acetate CAS Name: 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[3-chloro-4-[[1-(ethyliminomethyl)-4-piperidinyl]oxy]phenyl]sulfamoyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[3-chloro-4-[1-(ethyliminomethyl)piperidin-4-yl]oxyphenyl]sulfamoyl]acetate Traditional Name: 2-[[(E)-3-(3-amidinophenyl)allyl]-[3-chloro-4-[[1-(ethyliminomethyl)-4-piperidyl]oxy]phenyl]sulfamoyl]acetic acid ethyl ester Formula: C28H36ClN5O5S MolecularWeight: 590.13394

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Descriptors Computed from Structure

Canonical SMILES:

CCN=CN1CCC(CC1)OC2=C(C=C(C=C2)N(CC=CC3=CC(=CC=C3)C(=N)N)S(=O)(=O)CC(=O)OCC)Cl

Isomeric SMILES

CCN=CN1CCC(CC1)OC2=C(C=C(C=C2)N(C/C=C/C3=CC(=CC=C3)C(=N)N)S(=O)(=O)CC(=O)OCC)Cl

InChI

InChI=1S/C28H36ClN5O5S/c1-3-32-20-33-15-12-24(13-16-33)39-26-11-10-23(18-25(26)29)34(40(36,37)19-27(35)38-4-2)14-6-8-21-7-5-9-22(17-21)28(30)31/h5-11,17-18,20,24H,3-4,12-16,19H2,1-2H3,(H3,30,31)/b8-6+,32-20?