sodium [4-[(E)-3-(2,4-dimethoxy-5-thiophen-2-yl-phenyl)prop-2-enoyl]phenyl]sulfonyl-(5-methyl-1,2-oxazol-3-yl)azanide

Systemtic Name: sodium [4-[(E)-3-(2,4-dimethoxy-5-thiophen-2-yl-phenyl)prop-2-enoyl]phenyl]sulfonyl-(5-methyl-1,2-oxazol-3-yl)azanide Openeye Name: sodium [4-[(E)-3-[2,4-dimethoxy-5-(2-thienyl)phenyl]prop-2-enoyl]phenyl]sulfonyl-(5-methylisoxazol-3-yl)azanide CAS Name: sodium [4-[(E)-3-(2,4-dimethoxy-5-thiophen-2-ylphenyl)-1-oxoprop-2-enyl]phenyl]sulfonyl-(5-methyl-3-isoxazolyl)azanide IUPAC Name: sodium [4-[(E)-3-(2,4-dimethoxy-5-thiophen-2-ylphenyl)prop-2-enoyl]phenyl]sulfonyl-(5-methyl-1,2-oxazol-3-yl)azanide Traditional Name: sodium [4-[(E)-3-[2,4-dimethoxy-5-(2-thienyl)phenyl]acryloyl]phenyl]sulfonyl-(5-methylisoxazol-3-yl)azanide Formula: C25H21N2NaO6S2 MolecularWeight: 532.56381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)[N-]S(=O)(=O)C2=CC=C(C=C2)C(=O)C=CC3=C(C=C(C(=C3)C4=CC=CS4)OC)OC.[Na+]

Isomeric SMILES

CC1=CC(=NO1)[N-]S(=O)(=O)C2=CC=C(C=C2)C(=O)/C=C/C3=C(C=C(C(=C3)C4=CC=CS4)OC)OC.[Na+]

InChI

InChI=1S/C25H21N2O6S2.Na/c1-16-13-25(26-33-16)27-35(29,30)19-9-6-17(7-10-19)21(28)11-8-18-14-20(24-5-4-12-34-24)23(32-3)15-22(18)31-2;/h4-15H,1-3H3;/q-1;+1/b11-8+;