[3-[(2-chloranylphenothiazin-10-yl)methyl]-2,2,5,5-tetramethyl-pyrrol-1-yl] methanesulfonate

Systemtic Name: [3-[(2-chloranylphenothiazin-10-yl)methyl]-2,2,5,5-tetramethyl-pyrrol-1-yl] methanesulfonate Openeye Name: [3-[(2-chlorophenothiazin-10-yl)methyl]-2,2,5,5-tetramethyl-pyrrol-1-yl] methanesulfonate CAS Name: methanesulfonic acid [3-[(2-chloro-10-phenothiazinyl)methyl]-2,2,5,5-tetramethyl-1-pyrrolyl] ester IUPAC Name: [3-[(2-chlorophenothiazin-10-yl)methyl]-2,2,5,5-tetramethylpyrrol-1-yl] methanesulfonate Traditional Name: methanesulfonic acid [3-[(2-chlorophenothiazin-10-yl)methyl]-2,2,5,5-tetramethyl-3-pyrrolin-1-yl] ester Formula: C22H25ClN2O3S2 MolecularWeight: 465.0285

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C(N1OS(=O)(=O)C)(C)C)CN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)C

Isomeric SMILES

CC1(C=C(C(N1OS(=O)(=O)C)(C)C)CN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)C

InChI

InChI=1S/C22H25ClN2O3S2/c1-21(2)13-15(22(3,4)25(21)28-30(5,26)27)14-24-17-8-6-7-9-19(17)29-20-11-10-16(23)12-18(20)24/h6-13H,14H2,1-5H3