1-[2-azanyl-6-methylsulfonyl-3-[(E)-2-phenylethenyl]phenyl]heptan-2-yl prop-2-eneperoxoate

Systemtic Name: 1-[2-azanyl-6-methylsulfonyl-3-[(E)-2-phenylethenyl]phenyl]heptan-2-yl prop-2-eneperoxoate Openeye Name: 1-[[2-amino-6-methylsulfonyl-3-[(E)-styryl]phenyl]methyl]hexyl prop-2-eneperoxoate CAS Name: 2-propeneperoxoic acid 1-[2-amino-6-methylsulfonyl-3-[(E)-2-phenylethenyl]phenyl]heptan-2-yl ester IUPAC Name: 1-[2-amino-6-methylsulfonyl-3-[(E)-2-phenylethenyl]phenyl]heptan-2-yl prop-2-eneperoxoate Traditional Name: peroxyacrylic acid 1-[2-amino-6-mesyl-3-[(E)-styryl]benzyl]hexyl ester Formula: C25H31NO5S MolecularWeight: 457.58234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC1=C(C=CC(=C1N)C=CC2=CC=CC=C2)S(=O)(=O)C)OOC(=O)C=C

Isomeric SMILES

CCCCCC(CC1=C(C=CC(=C1N)/C=C/C2=CC=CC=C2)S(=O)(=O)C)OOC(=O)C=C

InChI

InChI=1S/C25H31NO5S/c1-4-6-8-13-21(30-31-24(27)5-2)18-22-23(32(3,28)29)17-16-20(25(22)26)15-14-19-11-9-7-10-12-19/h5,7,9-12,14-17,21H,2,4,6,8,13,18,26H2,1,3H3/b15-14+