ethyl 2-[[3-aminocarbonyl-4-[1-(2,3,4,5-tetrahydropyridin-6-yl)piperidin-4-yl]oxy-phenyl]-[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]sulfamoyl]ethanoate dihydrochloride

Systemtic Name: ethyl 2-[[3-aminocarbonyl-4-[1-(2,3,4,5-tetrahydropyridin-6-yl)piperidin-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-4-[[1-(2,3,4,5-tetrahydropyridin-6-yl)-4-piperidyl]oxy]phenyl]sulfamoyl]acetate dihydrochloride CAS Name: 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[3-carbamoyl-4-[[1-(2,3,4,5-tetrahydropyridin-6-yl)-4-piperidinyl]oxy]phenyl]sulfamoyl]acetic acid ethyl ester dihydrochloride IUPAC Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[3-carbamoyl-4-[1-(2,3,4,5-tetrahydropyridin-6-yl)piperidin-4-yl]oxyphenyl]sulfamoyl]acetate dihydrochloride Traditional Name: 2-[[(E)-3-(3-amidinophenyl)allyl]-[3-carbamoyl-4-[[1-(2,3,4,5-tetrahydropyridin-6-yl)-4-piperidyl]oxy]phenyl]sulfamoyl]acetic acid ethyl ester dihydrochloride Formula: C31H42Cl2N6O6S MolecularWeight: 697.67278

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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=NCCCC4)C(=O)N.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=NCCCC4)C(=O)N.Cl.Cl

InChI

InChI=1S/C31H40N6O6S.2ClH/c1-2-42-29(38)21-44(40,41)37(16-6-8-22-7-5-9-23(19-22)30(32)33)24-11-12-27(26(20-24)31(34)39)43-25-13-17-36(18-14-25)28-10-3-4-15-35-28;;/h5-9,11-12,19-20,25H,2-4,10,13-18,21H2,1H3,(H3,32,33)(H2,34,39);2*1H/b8-6+;;