quinolin-8-yl 3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoate

Systemtic Name: quinolin-8-yl 3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoate Openeye Name: 8-quinolyl 3-methyl-2-[[(E)-styryl]sulfonylamino]butanoate CAS Name: 3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoic acid 8-quinolinyl ester IUPAC Name: quinolin-8-yl 3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoate Traditional Name: 3-methyl-2-[[(E)-styryl]sulfonylamino]butyric acid 8-quinolyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC1=CC=CC2=C1N=CC=C2)NS(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)OC1=CC=CC2=C1N=CC=C2)NS(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H22N2O4S/c1-16(2)20(24-29(26,27)15-13-17-8-4-3-5-9-17)22(25)28-19-12-6-10-18-11-7-14-23-21(18)19/h3-16,20,24H,1-2H3/b15-13+