2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[3-chloranyl-4-(1,2-dimethylpiperidin-4-yl)oxy-phenyl]sulfamoyl]ethanoic acid

Systemtic Name: 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[3-chloranyl-4-(1,2-dimethylpiperidin-4-yl)oxy-phenyl]sulfamoyl]ethanoic acid Openeye Name: 2-[[(E)-3-(3-carbamimidoylphenyl)allyl]-[3-chloro-4-[(1,2-dimethyl-4-piperidyl)oxy]phenyl]sulfamoyl]acetic acid CAS Name: 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[3-chloro-4-[(1,2-dimethyl-4-piperidinyl)oxy]phenyl]sulfamoyl]acetic acid IUPAC Name: 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[3-chloro-4-(1,2-dimethylpiperidin-4-yl)oxyphenyl]sulfamoyl]acetic acid Traditional Name: 2-[[(E)-3-(3-amidinophenyl)allyl]-[3-chloro-4-[(1,2-dimethyl-4-piperidyl)oxy]phenyl]sulfamoyl]acetic acid Formula: C25H31ClN4O5S MolecularWeight: 535.05544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CCN1C)OC2=C(C=C(C=C2)N(CC=CC3=CC(=CC=C3)C(=N)N)S(=O)(=O)CC(=O)O)Cl

Isomeric SMILES

CC1CC(CCN1C)OC2=C(C=C(C=C2)N(C/C=C/C3=CC(=CC=C3)C(=N)N)S(=O)(=O)CC(=O)O)Cl

InChI

InChI=1S/C25H31ClN4O5S/c1-17-13-21(10-12-29(17)2)35-23-9-8-20(15-22(23)26)30(36(33,34)16-24(31)32)11-4-6-18-5-3-7-19(14-18)25(27)28/h3-9,14-15,17,21H,10-13,16H2,1-2H3,(H3,27,28)(H,31,32)/b6-4+