2-[[4-[2-(2,4-dimethoxy-5-pyrrolidin-1-yl-phenyl)prop-2-enoyl]phenyl]sulfonylamino]ethanoic acid

Systemtic Name: 2-[[4-[2-(2,4-dimethoxy-5-pyrrolidin-1-yl-phenyl)prop-2-enoyl]phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[4-[2-(2,4-dimethoxy-5-pyrrolidin-1-yl-phenyl)prop-2-enoyl]phenyl]sulfonylamino]acetic acid CAS Name: 2-[[4-[2-[2,4-dimethoxy-5-(1-pyrrolidinyl)phenyl]-1-oxoprop-2-enyl]phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[4-[2-(2,4-dimethoxy-5-pyrrolidin-1-ylphenyl)prop-2-enoyl]phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[4-[2-(2,4-dimethoxy-5-pyrrolidino-phenyl)acryloyl]phenyl]sulfonylamino]acetic acid Formula: C23H26N2O7S MolecularWeight: 474.52674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=C)C(=O)C2=CC=C(C=C2)S(=O)(=O)NCC(=O)O)N3CCCC3)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(=C)C(=O)C2=CC=C(C=C2)S(=O)(=O)NCC(=O)O)N3CCCC3)OC

InChI

InChI=1S/C23H26N2O7S/c1-15(18-12-19(25-10-4-5-11-25)21(32-3)13-20(18)31-2)23(28)16-6-8-17(9-7-16)33(29,30)24-14-22(26)27/h6-9,12-13,24H,1,4-5,10-11,14H2,2-3H3,(H,26,27)