10H-phenothiazin-1-ylmethyl 4-methylbenzenesulfonate

Systemtic Name: 10H-phenothiazin-1-ylmethyl 4-methylbenzenesulfonate Openeye Name: 10H-phenothiazin-1-ylmethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 10H-phenothiazin-1-ylmethyl ester IUPAC Name: 10H-phenothiazin-1-ylmethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 10H-phenothiazin-1-ylmethyl ester Formula: C20H17NO3S2 MolecularWeight: 383.48388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2=C3C(=CC=C2)SC4=CC=CC=C4N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2=C3C(=CC=C2)SC4=CC=CC=C4N3

InChI

InChI=1S/C20H17NO3S2/c1-14-9-11-16(12-10-14)26(22,23)24-13-15-5-4-8-19-20(15)21-17-6-2-3-7-18(17)25-19/h2-12,21H,13H2,1H3