ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)prop-1-enyl]-[3-(dimethylcarbamoyl)-4-piperidin-4-yloxy-phenyl]sulfamoyl]ethanoate dihydrochloride

Systemtic Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)prop-1-enyl]-[3-(dimethylcarbamoyl)-4-piperidin-4-yloxy-phenyl]sulfamoyl]ethanoate dihydrochloride Openeye Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)prop-1-enyl]-[3-(dimethylcarbamoyl)-4-(4-piperidyloxy)phenyl]sulfamoyl]acetate dihydrochloride CAS Name: 2-[[(E)-3-(3-carbamimidoylphenyl)prop-1-enyl]-[3-[dimethylamino(oxo)methyl]-4-(4-piperidinyloxy)phenyl]sulfamoyl]acetic acid ethyl ester dihydrochloride IUPAC Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)prop-1-enyl]-[3-(dimethylcarbamoyl)-4-piperidin-4-yloxyphenyl]sulfamoyl]acetate dihydrochloride Traditional Name: 2-[[(E)-3-(3-amidinophenyl)prop-1-enyl]-[3-(dimethylcarbamoyl)-4-(4-piperidyloxy)phenyl]sulfamoyl]acetic acid ethyl ester dihydrochloride Formula: C28H39Cl2N5O6S MolecularWeight: 644.61016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CS(=O)(=O)N(C=CCC1=CC=CC(=C1)C(=N)N)C2=CC(=C(C=C2)OC3CCNCC3)C(=O)N(C)C.Cl.Cl

Isomeric SMILES

CCOC(=O)CS(=O)(=O)N(/C=C/CC1=CC=CC(=C1)C(=N)N)C2=CC(=C(C=C2)OC3CCNCC3)C(=O)N(C)C.Cl.Cl

InChI

InChI=1S/C28H37N5O6S.2ClH/c1-4-38-26(34)19-40(36,37)33(16-6-8-20-7-5-9-21(17-20)27(29)30)22-10-11-25(24(18-22)28(35)32(2)3)39-23-12-14-31-15-13-23;;/h5-7,9-11,16-18,23,31H,4,8,12-15,19H2,1-3H3,(H3,29,30);2*1H/b16-6+;;