4-(3-pyrrolidin-1-ylpropylamino)benzenesulfonic acid

Systemtic Name: 4-(3-pyrrolidin-1-ylpropylamino)benzenesulfonic acid Openeye Name: 4-(3-pyrrolidin-1-ylpropylamino)benzenesulfonic acid CAS Name: 4-[3-(1-pyrrolidinyl)propylamino]benzenesulfonic acid IUPAC Name: 4-(3-pyrrolidin-1-ylpropylamino)benzenesulfonic acid Traditional Name: 4-(3-pyrrolidinopropylamino)besylic acid Formula: C13H20N2O3S MolecularWeight: 284.3745

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCNC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

C1CCN(C1)CCCNC2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C13H20N2O3S/c16-19(17,18)13-6-4-12(5-7-13)14-8-3-11-15-9-1-2-10-15/h4-7,14H,1-3,8-11H2,(H,16,17,18)