4-(3-methylpiperazin-1-yl)benzenesulfonic acid

Systemtic Name: 4-(3-methylpiperazin-1-yl)benzenesulfonic acid Openeye Name: 4-(3-methylpiperazin-1-yl)benzenesulfonic acid CAS Name: 4-(3-methyl-1-piperazinyl)benzenesulfonic acid IUPAC Name: 4-(3-methylpiperazin-1-yl)benzenesulfonic acid Traditional Name: 4-(3-methylpiperazino)besylic acid Formula: C11H16N2O3S MolecularWeight: 256.32134

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CC1CN(CCN1)C2=CC=C(C=C2)S(=O)(=O)O

InChI

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