[4-[(4-oxidanylidene-2-piperidin-1-yl-1,3-thiazol-5-ylidene)methyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(4-oxidanylidene-2-piperidin-1-yl-1,3-thiazol-5-ylidene)methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[[4-oxo-2-(1-piperidyl)thiazol-5-ylidene]methyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[[4-oxo-2-(1-piperidinyl)-5-thiazolylidene]methyl]phenyl] ester IUPAC Name: [4-[(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-ylidene)methyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(4-keto-2-piperidino-2-thiazolin-5-ylidene)methyl]phenyl] ester Formula: C22H22N2O4S2 MolecularWeight: 442.55108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=C3C(=O)N=C(S3)N4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=C3C(=O)N=C(S3)N4CCCCC4

InChI

InChI=1S/C22H22N2O4S2/c1-16-5-11-19(12-6-16)30(26,27)28-18-9-7-17(8-10-18)15-20-21(25)23-22(29-20)24-13-3-2-4-14-24/h5-12,15H,2-4,13-14H2,1H3