4-(2-piperazin-1-ylethylamino)benzenesulfonic acid

Systemtic Name: 4-(2-piperazin-1-ylethylamino)benzenesulfonic acid Openeye Name: 4-(2-piperazin-1-ylethylamino)benzenesulfonic acid CAS Name: 4-[2-(1-piperazinyl)ethylamino]benzenesulfonic acid IUPAC Name: 4-(2-piperazin-1-ylethylamino)benzenesulfonic acid Traditional Name: 4-(2-piperazinoethylamino)besylic acid Formula: C12H19N3O3S MolecularWeight: 285.36256

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCNC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

C1CN(CCN1)CCNC2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C12H19N3O3S/c16-19(17,18)12-3-1-11(2-4-12)14-7-10-15-8-5-13-6-9-15/h1-4,13-14H,5-10H2,(H,16,17,18)