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

Systemtic Name: (E)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-3-(2,4,5-trimethylphenyl)prop-2-enoic acid Openeye Name: (E)-2-(5-pyrrolidin-1-ylsulfonyl-2-thienyl)-3-(2,4,5-trimethylphenyl)prop-2-enoic acid CAS Name: (E)-2-[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]-3-(2,4,5-trimethylphenyl)-2-propenoic acid IUPAC Name: (E)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-3-(2,4,5-trimethylphenyl)prop-2-enoic acid Traditional Name: (E)-2-(5-pyrrolidinosulfonyl-2-thienyl)-3-(2,4,5-trimethylphenyl)acrylic acid Formula: C20H23NO4S2 MolecularWeight: 405.53092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C=C(C2=CC=C(S2)S(=O)(=O)N3CCCC3)C(=O)O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1/C=C(/C2=CC=C(S2)S(=O)(=O)N3CCCC3)\C(=O)O)C)C

InChI

InChI=1S/C20H23NO4S2/c1-13-10-15(3)16(11-14(13)2)12-17(20(22)23)18-6-7-19(26-18)27(24,25)21-8-4-5-9-21/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,22,23)/b17-12-