1-[[2-methylsulfanylperoxy-4,5-bis(methylsulfonyl)phenyl]amino]-3-(3-phenoxypropyl)urea

Systemtic Name: 1-[[2-methylsulfanylperoxy-4,5-bis(methylsulfonyl)phenyl]amino]-3-(3-phenoxypropyl)urea Openeye Name: 1-[2-methylsulfanylperoxy-4,5-bis(methylsulfonyl)anilino]-3-(3-phenoxypropyl)urea CAS Name: methanesulfenic acid [4,5-bis(methylsulfonyl)-2-[[oxo-(3-phenoxypropylamino)methyl]hydrazo]phenoxy] ester IUPAC Name: 1-[2-methylsulfanylperoxy-4,5-bis(methylsulfonyl)anilino]-3-(3-phenoxypropyl)urea Traditional Name: 1-[4,5-dimesyl-2-(methylthio)peroxy-anilino]-3-(3-phenoxypropyl)urea Formula: C19H25N3O8S3 MolecularWeight: 519.6121

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Descriptors Computed from Structure

Canonical SMILES:

CSOOC1=CC(=C(C=C1NNC(=O)NCCCOC2=CC=CC=C2)S(=O)(=O)C)S(=O)(=O)C

Isomeric SMILES

CSOOC1=CC(=C(C=C1NNC(=O)NCCCOC2=CC=CC=C2)S(=O)(=O)C)S(=O)(=O)C

InChI

InChI=1S/C19H25N3O8S3/c1-31-30-29-16-13-18(33(3,26)27)17(32(2,24)25)12-15(16)21-22-19(23)20-10-7-11-28-14-8-5-4-6-9-14/h4-6,8-9,12-13,21H,7,10-11H2,1-3H3,(H2,20,22,23)