7-[2-azanyl-6-methylsulfonyl-3-[(E)-2-phenylethenyl]phenyl]heptyl prop-2-eneperoxoate

Systemtic Name: 7-[2-azanyl-6-methylsulfonyl-3-[(E)-2-phenylethenyl]phenyl]heptyl prop-2-eneperoxoate Openeye Name: 7-[2-amino-6-methylsulfonyl-3-[(E)-styryl]phenyl]heptyl prop-2-eneperoxoate CAS Name: 2-propeneperoxoic acid 7-[2-amino-6-methylsulfonyl-3-[(E)-2-phenylethenyl]phenyl]heptyl ester IUPAC Name: 7-[2-amino-6-methylsulfonyl-3-[(E)-2-phenylethenyl]phenyl]heptyl prop-2-eneperoxoate Traditional Name: peroxyacrylic acid 7-[2-amino-6-mesyl-3-[(E)-styryl]phenyl]heptyl ester Formula: C25H31NO5S MolecularWeight: 457.58234

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C(=C(C=C1)C=CC2=CC=CC=C2)N)CCCCCCCOOC(=O)C=C

Isomeric SMILES

CS(=O)(=O)C1=C(C(=C(C=C1)/C=C/C2=CC=CC=C2)N)CCCCCCCOOC(=O)C=C

InChI

InChI=1S/C25H31NO5S/c1-3-24(27)31-30-19-11-6-4-5-10-14-22-23(32(2,28)29)18-17-21(25(22)26)16-15-20-12-8-7-9-13-20/h3,7-9,12-13,15-18H,1,4-6,10-11,14,19,26H2,2H3/b16-15+