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

Systemtic Name: 4-(2-pyrrolidin-1-ylethylamino)benzenesulfonic acid Openeye Name: 4-(2-pyrrolidin-1-ylethylamino)benzenesulfonic acid CAS Name: 4-[2-(1-pyrrolidinyl)ethylamino]benzenesulfonic acid IUPAC Name: 4-(2-pyrrolidin-1-ylethylamino)benzenesulfonic acid Traditional Name: 4-(2-pyrrolidinoethylamino)besylic acid Formula: C12H18N2O3S MolecularWeight: 270.34792

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCNC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

C1CCN(C1)CCNC2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C12H18N2O3S/c15-18(16,17)12-5-3-11(4-6-12)13-7-10-14-8-1-2-9-14/h3-6,13H,1-2,7-10H2,(H,15,16,17)