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

Systemtic Name: (E)-3-(4-tert-butylphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Openeye Name: (E)-3-(4-tert-butylphenyl)-2-(5-pyrrolidin-1-ylsulfonyl-2-thienyl)prop-2-enoic acid CAS Name: (E)-3-(4-tert-butylphenyl)-2-[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]-2-propenoic acid IUPAC Name: (E)-3-(4-tert-butylphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Traditional Name: (E)-3-(4-tert-butylphenyl)-2-(5-pyrrolidinosulfonyl-2-thienyl)acrylic acid Formula: C21H25NO4S2 MolecularWeight: 419.5575

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO4S2/c1-21(2,3)16-8-6-15(7-9-16)14-17(20(23)24)18-10-11-19(27-18)28(25,26)22-12-4-5-13-22/h6-11,14H,4-5,12-13H2,1-3H3,(H,23,24)/b17-14-