[3-(2-chloranylphenothiazin-10-yl)-3-oxidanylidene-propyl] 4-methylbenzenesulfonate

Systemtic Name: [3-(2-chloranylphenothiazin-10-yl)-3-oxidanylidene-propyl] 4-methylbenzenesulfonate Openeye Name: [3-(2-chlorophenothiazin-10-yl)-3-oxo-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-(2-chloro-10-phenothiazinyl)-3-oxopropyl] ester IUPAC Name: [3-(2-chlorophenothiazin-10-yl)-3-oxopropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-(2-chlorophenothiazin-10-yl)-3-keto-propyl] ester Formula: C22H18ClNO4S2 MolecularWeight: 459.96562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl

InChI

InChI=1S/C22H18ClNO4S2/c1-15-6-9-17(10-7-15)30(26,27)28-13-12-22(25)24-18-4-2-3-5-20(18)29-21-11-8-16(23)14-19(21)24/h2-11,14H,12-13H2,1H3