3-phenothiazin-10-ylpropyl 4-methylbenzenesulfonate

Systemtic Name: 3-phenothiazin-10-ylpropyl 4-methylbenzenesulfonate Openeye Name: 3-phenothiazin-10-ylpropyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-(10-phenothiazinyl)propyl ester IUPAC Name: 3-phenothiazin-10-ylpropyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-phenothiazin-10-ylpropyl ester Formula: C22H21NO3S2 MolecularWeight: 411.53704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCN2C3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCN2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C22H21NO3S2/c1-17-11-13-18(14-12-17)28(24,25)26-16-6-15-23-19-7-2-4-9-21(19)27-22-10-5-3-8-20(22)23/h2-5,7-14H,6,15-16H2,1H3