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

Systemtic Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-(3,5-diaminocarbonyl-4-piperidin-4-yloxy-phenyl)sulfamoyl]ethanoate dihydrochloride Openeye Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)allyl]-[3,5-dicarbamoyl-4-(4-piperidyloxy)phenyl]sulfamoyl]acetate dihydrochloride CAS Name: 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[3,5-dicarbamoyl-4-(4-piperidinyloxy)phenyl]sulfamoyl]acetic acid ethyl ester dihydrochloride IUPAC Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-(3,5-dicarbamoyl-4-piperidin-4-yloxyphenyl)sulfamoyl]acetate dihydrochloride Traditional Name: 2-[[(E)-3-(3-amidinophenyl)allyl]-[3,5-dicarbamoyl-4-(4-piperidyloxy)phenyl]sulfamoyl]acetic acid ethyl ester dihydrochloride Formula: C27H36Cl2N6O7S MolecularWeight: 659.58174

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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(=O)N)OC3CCNCC3)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)C(=O)N)OC3CCNCC3)C(=O)N.Cl.Cl

InChI

InChI=1S/C27H34N6O7S.2ClH/c1-2-39-23(34)16-41(37,38)33(12-4-6-17-5-3-7-18(13-17)25(28)29)19-14-21(26(30)35)24(22(15-19)27(31)36)40-20-8-10-32-11-9-20;;/h3-7,13-15,20,32H,2,8-12,16H2,1H3,(H3,28,29)(H2,30,35)(H2,31,36);2*1H/b6-4+;;