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

Systemtic Name: 4-(1-pyrrolidin-2-ylpropylamino)benzenesulfonic acid Openeye Name: 4-(1-pyrrolidin-2-ylpropylamino)benzenesulfonic acid CAS Name: 4-[1-(2-pyrrolidinyl)propylamino]benzenesulfonic acid IUPAC Name: 4-(1-pyrrolidin-2-ylpropylamino)benzenesulfonic acid Traditional Name: 4-(1-pyrrolidin-2-ylpropylamino)besylic acid Formula: C13H20N2O3S MolecularWeight: 284.3745

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CCCN1)NC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CCC(C1CCCN1)NC2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C13H20N2O3S/c1-2-12(13-4-3-9-14-13)15-10-5-7-11(8-6-10)19(16,17)18/h5-8,12-15H,2-4,9H2,1H3,(H,16,17,18)