ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-(3,5-dimethyl-4-piperidin-4-yloxy-phenyl)sulfamoyl]ethanoate dihydrochloride

Systemtic Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-(3,5-dimethyl-4-piperidin-4-yloxy-phenyl)sulfamoyl]ethanoate dihydrochloride Openeye Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)allyl]-[3,5-dimethyl-4-(4-piperidyloxy)phenyl]sulfamoyl]acetate dihydrochloride CAS Name: 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[3,5-dimethyl-4-(4-piperidinyloxy)phenyl]sulfamoyl]acetic acid ethyl ester dihydrochloride IUPAC Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-(3,5-dimethyl-4-piperidin-4-yloxyphenyl)sulfamoyl]acetate dihydrochloride Traditional Name: 2-[[(E)-3-(3-amidinophenyl)allyl]-[3,5-dimethyl-4-(4-piperidyloxy)phenyl]sulfamoyl]acetic acid ethyl ester dihydrochloride Formula: C27H38Cl2N4O5S MolecularWeight: 601.58542

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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)C)OC3CCNCC3)C.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)C)OC3CCNCC3)C.Cl.Cl

InChI

InChI=1S/C27H36N4O5S.2ClH/c1-4-35-25(32)18-37(33,34)31(14-6-8-21-7-5-9-22(17-21)27(28)29)23-15-19(2)26(20(3)16-23)36-24-10-12-30-13-11-24;;/h5-9,15-17,24,30H,4,10-14,18H2,1-3H3,(H3,28,29);2*1H/b8-6+;;