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

Systemtic Name: (E)-6-[4-[(5-chloranylthiophen-2-yl)sulfonylamino]phenyl]-6-pyridin-3-yl-hex-5-enoic acid Openeye Name: (E)-6-[4-[(5-chloro-2-thienyl)sulfonylamino]phenyl]-6-(3-pyridyl)hex-5-enoic acid CAS Name: (E)-6-[4-[(5-chloro-2-thiophenyl)sulfonylamino]phenyl]-6-(3-pyridinyl)-5-hexenoic acid IUPAC Name: (E)-6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]-6-pyridin-3-ylhex-5-enoic acid Traditional Name: (E)-6-[4-[(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(=CN=C1)C(=CCCCC(=O)O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O4S2/c22-19-11-12-21(29-19)30(27,28)24-17-9-7-15(8-10-17)18(5-1-2-6-20(25)26)16-4-3-13-23-14-16/h3-5,7-14,24H,1-2,6H2,(H,25,26)/b18-5+