ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-(4-pyrrolidin-3-yloxyphenyl)sulfamoyl]ethanoate dihydrochloride

Systemtic Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-(4-pyrrolidin-3-yloxyphenyl)sulfamoyl]ethanoate dihydrochloride Openeye Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)allyl]-(4-pyrrolidin-3-yloxyphenyl)sulfamoyl]acetate dihydrochloride CAS Name: 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[4-(3-pyrrolidinyloxy)phenyl]sulfamoyl]acetic acid ethyl ester dihydrochloride IUPAC Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-(4-pyrrolidin-3-yloxyphenyl)sulfamoyl]acetate dihydrochloride Traditional Name: 2-[[(E)-3-(3-amidinophenyl)allyl]-(4-pyrrolidin-3-yloxyphenyl)sulfamoyl]acetic acid ethyl ester dihydrochloride Formula: C24H32Cl2N4O5S MolecularWeight: 559.50568

Click to see the large picture

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)OC3CCNC3.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)OC3CCNC3.Cl.Cl

InChI

InChI=1S/C24H30N4O5S.2ClH/c1-2-32-23(29)17-34(30,31)28(14-4-6-18-5-3-7-19(15-18)24(25)26)20-8-10-21(11-9-20)33-22-12-13-27-16-22;;/h3-11,15,22,27H,2,12-14,16-17H2,1H3,(H3,25,26);2*1H/b6-4+;;