[4-(3-oxidanylidenepiperazin-1-yl)carbonylphenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-(3-oxidanylidenepiperazin-1-yl)carbonylphenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-(3-oxopiperazine-1-carbonyl)phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[oxo-(3-oxo-1-piperazinyl)methyl]phenyl] ester IUPAC Name: [4-(3-oxopiperazine-1-carbonyl)phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-(3-ketopiperazine-1-carbonyl)phenyl] ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)N3CCNC(=O)C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)N3CCNC(=O)C3

InChI

InChI=1S/C19H20N2O5S/c1-13-3-4-14(2)17(11-13)27(24,25)26-16-7-5-15(6-8-16)19(23)21-10-9-20-18(22)12-21/h3-8,11H,9-10,12H2,1-2H3,(H,20,22)