2-[7-cyano-2-methyl-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]indolizin-3-yl]ethanoic acid

Systemtic Name: 2-[7-cyano-2-methyl-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]indolizin-3-yl]ethanoic acid Openeye Name: 2-[7-cyano-2-methyl-1-[(4-morpholinosulfonylphenyl)methyl]indolizin-3-yl]acetic acid CAS Name: 2-[7-cyano-2-methyl-1-[[4-(4-morpholinylsulfonyl)phenyl]methyl]-3-indolizinyl]acetic acid IUPAC Name: 2-[7-cyano-2-methyl-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]indolizin-3-yl]acetic acid Traditional Name: 2-[7-cyano-2-methyl-1-(4-morpholinosulfonylbenzyl)indolizin-3-yl]acetic acid Formula: C23H23N3O5S MolecularWeight: 453.51082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C=CC(=CC2=C1CC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C#N)CC(=O)O

Isomeric SMILES

CC1=C(N2C=CC(=CC2=C1CC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C#N)CC(=O)O

InChI

InChI=1S/C23H23N3O5S/c1-16-20(22-13-18(15-24)6-7-26(22)21(16)14-23(27)28)12-17-2-4-19(5-3-17)32(29,30)25-8-10-31-11-9-25/h2-7,13H,8-12,14H2,1H3,(H,27,28)