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

Systemtic Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)prop-1-enyl]-[3-(methylcarbamoyl)-4-piperidin-4-yloxy-phenyl]sulfamoyl]ethanoate dihydrochloride Openeye Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)prop-1-enyl]-[3-(methylcarbamoyl)-4-(4-piperidyloxy)phenyl]sulfamoyl]acetate dihydrochloride CAS Name: 2-[[(E)-3-(3-carbamimidoylphenyl)prop-1-enyl]-[3-(methylcarbamoyl)-4-(4-piperidinyloxy)phenyl]sulfamoyl]acetic acid ethyl ester dihydrochloride IUPAC Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)prop-1-enyl]-[3-(methylcarbamoyl)-4-piperidin-4-yloxyphenyl]sulfamoyl]acetate dihydrochloride Traditional Name: 2-[[(E)-3-(3-amidinophenyl)prop-1-enyl]-[3-(methylcarbamoyl)-4-(4-piperidyloxy)phenyl]sulfamoyl]acetic acid ethyl ester dihydrochloride Formula: C27H37Cl2N5O6S MolecularWeight: 630.58358

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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)NC.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)NC.Cl.Cl

InChI

InChI=1S/C27H35N5O6S.2ClH/c1-3-37-25(33)18-39(35,36)32(15-5-7-19-6-4-8-20(16-19)26(28)29)21-9-10-24(23(17-21)27(34)30-2)38-22-11-13-31-14-12-22;;/h4-6,8-10,15-17,22,31H,3,7,11-14,18H2,1-2H3,(H3,28,29)(H,30,34);2*1H/b15-5+;;