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

Systemtic Name: 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[3-chloranyl-4-[1-(4,5-dihydro-1,3-oxazol-2-yl)piperidin-4-yl]oxy-phenyl]sulfamoyl]ethanoic acid Openeye Name: 2-[[(E)-3-(3-carbamimidoylphenyl)allyl]-[3-chloro-4-[[1-(4,5-dihydrooxazol-2-yl)-4-piperidyl]oxy]phenyl]sulfamoyl]acetic acid CAS Name: 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[3-chloro-4-[[1-(4,5-dihydrooxazol-2-yl)-4-piperidinyl]oxy]phenyl]sulfamoyl]acetic acid IUPAC Name: 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[3-chloro-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]-[3-chloro-4-[[1-(2-oxazolin-2-yl)-4-piperidyl]oxy]phenyl]sulfamoyl]acetic acid Formula: C26H30ClN5O6S MolecularWeight: 576.0643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30ClN5O6S/c27-22-16-20(6-7-23(22)38-21-8-12-31(13-9-21)26-30-10-14-37-26)32(39(35,36)17-24(33)34)11-2-4-18-3-1-5-19(15-18)25(28)29/h1-7,15-16,21H,8-14,17H2,(H3,28,29)(H,33,34)/b4-2+