(NE)-N-[1-[1-methyl-5-[(E)-C-methyl-N-phenylperoxysulfanyl-carbonimidoyl]pyrrol-2-yl]ethylidene]benzenesulfonamide

Systemtic Name: (NE)-N-[1-[1-methyl-5-[(E)-C-methyl-N-phenylperoxysulfanyl-carbonimidoyl]pyrrol-2-yl]ethylidene]benzenesulfonamide Openeye Name: (NE)-N-[1-[1-methyl-5-[(E)-C-methyl-N-phenylperoxysulfanyl-carbonimidoyl]pyrrol-2-yl]ethylidene]benzenesulfonamide CAS Name: (NE)-N-[1-[1-methyl-5-[(1E)-1-(phenyldioxythio)iminoethyl]-2-pyrrolyl]ethylidene]benzenesulfonamide IUPAC Name: (NE)-N-[1-[1-methyl-5-[(E)-C-methyl-N-phenylperoxysulfanylcarbonimidoyl]pyrrol-2-yl]ethylidene]benzenesulfonamide Traditional Name: (NE)-N-[1-[1-methyl-5-[(E)-C-methyl-N-(phenylperoxythio)carbonimidoyl]pyrrol-2-yl]ethylidene]benzenesulfonamide Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NSOOC1=CC=CC=C1)C2=CC=C(N2C)C(=NS(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

C/C(=N\SOOC1=CC=CC=C1)/C2=CC=C(N2C)/C(=N/S(=O)(=O)C3=CC=CC=C3)/C

InChI

InChI=1S/C21H21N3O4S2/c1-16(22-29-28-27-18-10-6-4-7-11-18)20-14-15-21(24(20)3)17(2)23-30(25,26)19-12-8-5-9-13-19/h4-15H,1-3H3/b22-16+,23-17+