5-methyl-2-piperazin-1-yl-benzenesulfonic acid hydrate

Systemtic Name: 5-methyl-2-piperazin-1-yl-benzenesulfonic acid hydrate Openeye Name: 5-methyl-2-piperazin-1-yl-benzenesulfonic acid hydrate CAS Name: 5-methyl-2-(1-piperazinyl)benzenesulfonic acid hydrate IUPAC Name: 5-methyl-2-piperazin-1-ylbenzenesulfonic acid hydrate Traditional Name: 5-methyl-2-piperazino-besylic acid hydrate Formula: C11H18N2O4S MolecularWeight: 274.33662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2CCNCC2)S(=O)(=O)O.O

Isomeric SMILES

CC1=CC(=C(C=C1)N2CCNCC2)S(=O)(=O)O.O

InChI

InChI=1S/C11H16N2O3S.H2O/c1-9-2-3-10(11(8-9)17(14,15)16)13-6-4-12-5-7-13;/h2-3,8,12H,4-7H2,1H3,(H,14,15,16);1H2