4-methyl-N-[4-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanylphenyl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[4-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanylphenyl]benzenesulfonamide Openeye Name: 4-methyl-N-[4-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanylphenyl]benzenesulfonamide CAS Name: 4-methyl-N-[4-[[2-oxo-2-(10-phenothiazinyl)ethyl]thio]phenyl]benzenesulfonamide IUPAC Name: 4-methyl-N-[4-(2-oxo-2-phenothiazin-10-ylethyl)sulfanylphenyl]benzenesulfonamide Traditional Name: N-[4-[(2-keto-2-phenothiazin-10-yl-ethyl)thio]phenyl]-4-methyl-benzenesulfonamide Formula: C27H22N2O3S3 MolecularWeight: 518.67018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C27H22N2O3S3/c1-19-10-16-22(17-11-19)35(31,32)28-20-12-14-21(15-13-20)33-18-27(30)29-23-6-2-4-8-25(23)34-26-9-5-3-7-24(26)29/h2-17,28H,18H2,1H3