(E)-3-(4-methylsulfanylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(4-methylsulfanylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Openeye Name: (E)-3-(4-methylsulfanylphenyl)-2-[5-(1-piperidylsulfonyl)-2-thienyl]prop-2-enoic acid CAS Name: (E)-3-[4-(methylthio)phenyl]-2-[5-(1-piperidinylsulfonyl)-2-thiophenyl]-2-propenoic acid IUPAC Name: (E)-3-(4-methylsulfanylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Traditional Name: (E)-3-[4-(methylthio)phenyl]-2-(5-piperidinosulfonyl-2-thienyl)acrylic acid Formula: C19H21NO4S3 MolecularWeight: 423.56934

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=C(C2=CC=C(S2)S(=O)(=O)N3CCCCC3)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C(/C2=CC=C(S2)S(=O)(=O)N3CCCCC3)\C(=O)O

InChI

InChI=1S/C19H21NO4S3/c1-25-15-7-5-14(6-8-15)13-16(19(21)22)17-9-10-18(26-17)27(23,24)20-11-3-2-4-12-20/h5-10,13H,2-4,11-12H2,1H3,(H,21,22)/b16-13-