N-[[1-(2-diethylaminoethylamino)-10-oxidanylidene-phenoxathiin-4-yl]methyl]methanesulfonamide

Systemtic Name: N-[[1-(2-diethylaminoethylamino)-10-oxidanylidene-phenoxathiin-4-yl]methyl]methanesulfonamide Openeye Name: N-[[1-(2-diethylaminoethylamino)-10-oxo-phenoxathiin-4-yl]methyl]methanesulfonamide CAS Name: N-[[1-(2-diethylaminoethylamino)-10-oxo-4-phenoxathiinyl]methyl]methanesulfonamide IUPAC Name: N-[[1-(2-diethylaminoethylamino)-10-oxophenoxathiin-4-yl]methyl]methanesulfonamide Traditional Name: N-[[1-(2-diethylaminoethylamino)-10-keto-phenoxathiin-4-yl]methyl]methanesulfonamide Formula: C20H27N3O4S2 MolecularWeight: 437.57608

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C2C(=C(C=C1)CNS(=O)(=O)C)OC3=CC=CC=C3S2=O

Isomeric SMILES

CCN(CC)CCNC1=C2C(=C(C=C1)CNS(=O)(=O)C)OC3=CC=CC=C3S2=O

InChI

InChI=1S/C20H27N3O4S2/c1-4-23(5-2)13-12-21-16-11-10-15(14-22-29(3,25)26)19-20(16)28(24)18-9-7-6-8-17(18)27-19/h6-11,21-22H,4-5,12-14H2,1-3H3