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

Systemtic Name: (E)-3-(3-methylthiophen-2-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Openeye Name: (E)-3-(3-methyl-2-thienyl)-2-[5-(1-piperidylsulfonyl)-2-thienyl]prop-2-enoic acid CAS Name: (E)-3-(3-methyl-2-thiophenyl)-2-[5-(1-piperidinylsulfonyl)-2-thiophenyl]-2-propenoic acid IUPAC Name: (E)-3-(3-methylthiophen-2-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Traditional Name: (E)-3-(3-methyl-2-thienyl)-2-(5-piperidinosulfonyl-2-thienyl)acrylic acid Formula: C17H19NO4S3 MolecularWeight: 397.53206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C=C(C2=CC=C(S2)S(=O)(=O)N3CCCCC3)C(=O)O

Isomeric SMILES

CC1=C(SC=C1)/C=C(/C2=CC=C(S2)S(=O)(=O)N3CCCCC3)\C(=O)O

InChI

InChI=1S/C17H19NO4S3/c1-12-7-10-23-15(12)11-13(17(19)20)14-5-6-16(24-14)25(21,22)18-8-3-2-4-9-18/h5-7,10-11H,2-4,8-9H2,1H3,(H,19,20)/b13-11-