2-[3-(piperazin-1-ylamino)phenyl]sulfonylethanesulfonic acid

Systemtic Name: 2-[3-(piperazin-1-ylamino)phenyl]sulfonylethanesulfonic acid Openeye Name: 2-[3-(piperazin-1-ylamino)phenyl]sulfonylethanesulfonic acid CAS Name: 2-[3-(1-piperazinylamino)phenyl]sulfonylethanesulfonic acid IUPAC Name: 2-[3-(piperazin-1-ylamino)phenyl]sulfonylethanesulfonic acid Traditional Name: 2-[3-(piperazinoamino)phenyl]sulfonylethanesulfonic acid Formula: C12H19N3O5S2 MolecularWeight: 349.42636

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)NC2=CC(=CC=C2)S(=O)(=O)CCS(=O)(=O)O

Isomeric SMILES

C1CN(CCN1)NC2=CC(=CC=C2)S(=O)(=O)CCS(=O)(=O)O

InChI

InChI=1S/C12H19N3O5S2/c16-21(17,8-9-22(18,19)20)12-3-1-2-11(10-12)14-15-6-4-13-5-7-15/h1-3,10,13-14H,4-9H2,(H,18,19,20)