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

Systemtic Name: 3-(4-cyanophenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Openeye Name: 3-(4-cyanophenyl)-2-[5-(1-piperidylsulfonyl)-2-thienyl]prop-2-enoic acid CAS Name: 3-(4-cyanophenyl)-2-[5-(1-piperidinylsulfonyl)-2-thiophenyl]-2-propenoic acid IUPAC Name: 3-(4-cyanophenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Traditional Name: 3-(4-cyanophenyl)-2-(5-piperidinosulfonyl-2-thienyl)acrylic acid Formula: C19H18N2O4S2 MolecularWeight: 402.48722

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)C(=CC3=CC=C(C=C3)C#N)C(=O)O

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)C(=CC3=CC=C(C=C3)C#N)C(=O)O

InChI

InChI=1S/C19H18N2O4S2/c20-13-15-6-4-14(5-7-15)12-16(19(22)23)17-8-9-18(26-17)27(24,25)21-10-2-1-3-11-21/h4-9,12H,1-3,10-11H2,(H,22,23)