4-[3-(4-methylpiperazin-1-yl)propylamino]benzenesulfonic acid

Systemtic Name: 4-[3-(4-methylpiperazin-1-yl)propylamino]benzenesulfonic acid Openeye Name: 4-[3-(4-methylpiperazin-1-yl)propylamino]benzenesulfonic acid CAS Name: 4-[3-(4-methyl-1-piperazinyl)propylamino]benzenesulfonic acid IUPAC Name: 4-[3-(4-methylpiperazin-1-yl)propylamino]benzenesulfonic acid Traditional Name: 4-[3-(4-methylpiperazino)propylamino]besylic acid Formula: C14H23N3O3S MolecularWeight: 313.41572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCNC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CN1CCN(CC1)CCCNC2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C14H23N3O3S/c1-16-9-11-17(12-10-16)8-2-7-15-13-3-5-14(6-4-13)21(18,19)20/h3-6,15H,2,7-12H2,1H3,(H,18,19,20)