(E)-4-[2-[(5-chloranylthiophen-2-yl)sulfonylamino]phenyl]-6-pyridin-3-yl-hex-5-enoic acid

Systemtic Name: (E)-4-[2-[(5-chloranylthiophen-2-yl)sulfonylamino]phenyl]-6-pyridin-3-yl-hex-5-enoic acid Openeye Name: (E)-4-[2-[(5-chloro-2-thienyl)sulfonylamino]phenyl]-6-(3-pyridyl)hex-5-enoic acid CAS Name: (E)-4-[2-[(5-chloro-2-thiophenyl)sulfonylamino]phenyl]-6-(3-pyridinyl)-5-hexenoic acid IUPAC Name: (E)-4-[2-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]-6-pyridin-3-ylhex-5-enoic acid Traditional Name: (E)-4-[2-[(5-chloro-2-thienyl)sulfonylamino]phenyl]-6-(3-pyridyl)hex-5-enoic acid Formula: C21H19ClN2O4S2 MolecularWeight: 462.96956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(CCC(=O)O)C=CC2=CN=CC=C2)NS(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(CCC(=O)O)/C=C/C2=CN=CC=C2)NS(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C21H19ClN2O4S2/c22-19-10-12-21(29-19)30(27,28)24-18-6-2-1-5-17(18)16(9-11-20(25)26)8-7-15-4-3-13-23-14-15/h1-8,10,12-14,16,24H,9,11H2,(H,25,26)/b8-7+