7-[[5-methylsulfonyl-2-[(E)-2-phenylethenyl]phenyl]amino]heptyl prop-2-eneperoxoate

Systemtic Name: 7-[[5-methylsulfonyl-2-[(E)-2-phenylethenyl]phenyl]amino]heptyl prop-2-eneperoxoate Openeye Name: 7-[5-methylsulfonyl-2-[(E)-styryl]anilino]heptyl prop-2-eneperoxoate CAS Name: 2-propeneperoxoic acid 7-[5-methylsulfonyl-2-[(E)-2-phenylethenyl]anilino]heptyl ester IUPAC Name: 7-[5-methylsulfonyl-2-[(E)-2-phenylethenyl]anilino]heptyl prop-2-eneperoxoate Traditional Name: peroxyacrylic acid 7-[5-mesyl-2-[(E)-styryl]anilino]heptyl ester Formula: C25H31NO5S MolecularWeight: 457.58234

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)C=CC2=CC=CC=C2)NCCCCCCCOOC(=O)C=C

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)/C=C/C2=CC=CC=C2)NCCCCCCCOOC(=O)C=C

InChI

InChI=1S/C25H31NO5S/c1-3-25(27)31-30-19-11-6-4-5-10-18-26-24-20-23(32(2,28)29)17-16-22(24)15-14-21-12-8-7-9-13-21/h3,7-9,12-17,20,26H,1,4-6,10-11,18-19H2,2H3/b15-14+