2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[4-[1-(4,5-dihydro-1,3-oxazol-2-yl)piperidin-4-yl]oxyphenyl]sulfamoyl]ethanoic acid

Systemtic Name: 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[4-[1-(4,5-dihydro-1,3-oxazol-2-yl)piperidin-4-yl]oxyphenyl]sulfamoyl]ethanoic acid Openeye Name: 2-[[(E)-3-(3-carbamimidoylphenyl)allyl]-[4-[[1-(4,5-dihydrooxazol-2-yl)-4-piperidyl]oxy]phenyl]sulfamoyl]acetic acid CAS Name: 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[4-[[1-(4,5-dihydrooxazol-2-yl)-4-piperidinyl]oxy]phenyl]sulfamoyl]acetic acid IUPAC Name: 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[4-[1-(4,5-dihydro-1,3-oxazol-2-yl)piperidin-4-yl]oxyphenyl]sulfamoyl]acetic acid Traditional Name: 2-[[(E)-3-(3-amidinophenyl)allyl]-[4-[[1-(2-oxazolin-2-yl)-4-piperidyl]oxy]phenyl]sulfamoyl]acetic acid Formula: C26H31N5O6S MolecularWeight: 541.61924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=CC=C(C=C2)N(CC=CC3=CC(=CC=C3)C(=N)N)S(=O)(=O)CC(=O)O)C4=NCCO4

Isomeric SMILES

C1CN(CCC1OC2=CC=C(C=C2)N(C/C=C/C3=CC(=CC=C3)C(=N)N)S(=O)(=O)CC(=O)O)C4=NCCO4

InChI

InChI=1S/C26H31N5O6S/c27-25(28)20-5-1-3-19(17-20)4-2-13-31(38(34,35)18-24(32)33)21-6-8-22(9-7-21)37-23-10-14-30(15-11-23)26-29-12-16-36-26/h1-9,17,23H,10-16,18H2,(H3,27,28)(H,32,33)/b4-2+