4-(4-pyrrolidin-1-ylbutylamino)benzenesulfonic acid

Systemtic Name: 4-(4-pyrrolidin-1-ylbutylamino)benzenesulfonic acid Openeye Name: 4-(4-pyrrolidin-1-ylbutylamino)benzenesulfonic acid CAS Name: 4-[4-(1-pyrrolidinyl)butylamino]benzenesulfonic acid IUPAC Name: 4-(4-pyrrolidin-1-ylbutylamino)benzenesulfonic acid Traditional Name: 4-(4-pyrrolidinobutylamino)besylic acid Formula: C14H22N2O3S MolecularWeight: 298.40108

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCCNC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

C1CCN(C1)CCCCNC2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C14H22N2O3S/c17-20(18,19)14-7-5-13(6-8-14)15-9-1-2-10-16-11-3-4-12-16/h5-8,15H,1-4,9-12H2,(H,17,18,19)