ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[4-[1-(4,5-dihydro-1,3-oxazol-2-yl)piperidin-4-yl]oxyphenyl]sulfamoyl]ethanoate dihydrochloride

Systemtic Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[4-[1-(4,5-dihydro-1,3-oxazol-2-yl)piperidin-4-yl]oxyphenyl]sulfamoyl]ethanoate dihydrochloride Openeye Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)allyl]-[4-[[1-(4,5-dihydrooxazol-2-yl)-4-piperidyl]oxy]phenyl]sulfamoyl]acetate dihydrochloride CAS Name: 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[4-[[1-(4,5-dihydrooxazol-2-yl)-4-piperidinyl]oxy]phenyl]sulfamoyl]acetic acid ethyl ester dihydrochloride IUPAC Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[4-[1-(4,5-dihydro-1,3-oxazol-2-yl)piperidin-4-yl]oxyphenyl]sulfamoyl]acetate dihydrochloride Traditional Name: 2-[[(E)-3-(3-amidinophenyl)allyl]-[4-[[1-(2-oxazolin-2-yl)-4-piperidyl]oxy]phenyl]sulfamoyl]acetic acid ethyl ester dihydrochloride Formula: C28H37Cl2N5O6S MolecularWeight: 642.59428

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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=NCCO4.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=NCCO4.Cl.Cl

InChI

InChI=1S/C28H35N5O6S.2ClH/c1-2-37-26(34)20-40(35,36)33(15-4-6-21-5-3-7-22(19-21)27(29)30)23-8-10-24(11-9-23)39-25-12-16-32(17-13-25)28-31-14-18-38-28;;/h3-11,19,25H,2,12-18,20H2,1H3,(H3,29,30);2*1H/b6-4+;;