2-[[4-(cyclopropylmethoxy)phenyl]sulfonyl-[(4-dimethylaminophenyl)methyl]amino]ethanoic acid

Systemtic Name: 2-[[4-(cyclopropylmethoxy)phenyl]sulfonyl-[(4-dimethylaminophenyl)methyl]amino]ethanoic acid Openeye Name: 2-[[4-(cyclopropylmethoxy)phenyl]sulfonyl-[(4-dimethylaminophenyl)methyl]amino]acetic acid CAS Name: 2-[[4-(cyclopropylmethoxy)phenyl]sulfonyl-[(4-dimethylaminophenyl)methyl]amino]acetic acid IUPAC Name: 2-[[4-(cyclopropylmethoxy)phenyl]sulfonyl-[(4-dimethylaminophenyl)methyl]amino]acetic acid Traditional Name: 2-[[4-(cyclopropylmethoxy)phenyl]sulfonyl-[4-(dimethylamino)benzyl]amino]acetic acid Formula: C21H26N2O5S MolecularWeight: 418.50654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CN(CC(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC3CC3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CN(CC(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC3CC3

InChI

InChI=1S/C21H26N2O5S/c1-22(2)18-7-5-16(6-8-18)13-23(14-21(24)25)29(26,27)20-11-9-19(10-12-20)28-15-17-3-4-17/h5-12,17H,3-4,13-15H2,1-2H3,(H,24,25)