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

Systemtic Name: 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[3-chloranyl-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxy-phenyl]sulfamoyl]ethanoic acid Openeye Name: 2-[[(E)-3-(3-carbamimidoylphenyl)allyl]-[3-chloro-4-[[1-(4-pyridylmethyl)-4-piperidyl]oxy]phenyl]sulfamoyl]acetic acid CAS Name: 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[3-chloro-4-[[1-(pyridin-4-ylmethyl)-4-piperidinyl]oxy]phenyl]sulfamoyl]acetic acid IUPAC Name: 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[3-chloro-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxyphenyl]sulfamoyl]acetic acid Traditional Name: 2-[[(E)-3-(3-amidinophenyl)allyl]-[3-chloro-4-[[1-(4-pyridylmethyl)-4-piperidyl]oxy]phenyl]sulfamoyl]acetic acid Formula: C29H32ClN5O5S MolecularWeight: 598.11288

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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)CC4=CC=NC=C4

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)CC4=CC=NC=C4

InChI

InChI=1S/C29H32ClN5O5S/c30-26-18-24(6-7-27(26)40-25-10-15-34(16-11-25)19-22-8-12-33-13-9-22)35(41(38,39)20-28(36)37)14-2-4-21-3-1-5-23(17-21)29(31)32/h1-9,12-13,17-18,25H,10-11,14-16,19-20H2,(H3,31,32)(H,36,37)/b4-2+