(E)-3-(4-dimethylaminophenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(4-dimethylaminophenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Openeye Name: (E)-3-(4-dimethylaminophenyl)-2-(5-pyrrolidin-1-ylsulfonyl-2-thienyl)prop-2-enoic acid CAS Name: (E)-3-(4-dimethylaminophenyl)-2-[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]-2-propenoic acid IUPAC Name: (E)-3-(4-dimethylaminophenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Traditional Name: (E)-3-(4-dimethylaminophenyl)-2-(5-pyrrolidinosulfonyl-2-thienyl)acrylic acid Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=C(C2=CC=C(S2)S(=O)(=O)N3CCCC3)C(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C(/C2=CC=C(S2)S(=O)(=O)N3CCCC3)\C(=O)O

InChI

InChI=1S/C19H22N2O4S2/c1-20(2)15-7-5-14(6-8-15)13-16(19(22)23)17-9-10-18(26-17)27(24,25)21-11-3-4-12-21/h5-10,13H,3-4,11-12H2,1-2H3,(H,22,23)/b16-13-