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

Systemtic Name: 4-(3-piperidin-1-ylpropylamino)benzenesulfonic acid Openeye Name: 4-[3-(1-piperidyl)propylamino]benzenesulfonic acid CAS Name: 4-[3-(1-piperidinyl)propylamino]benzenesulfonic acid IUPAC Name: 4-(3-piperidin-1-ylpropylamino)benzenesulfonic acid Traditional Name: 4-(3-piperidinopropylamino)besylic acid Formula: C14H22N2O3S MolecularWeight: 298.40108

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCNC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

C1CCN(CC1)CCCNC2=CC=C(C=C2)S(=O)(=O)O

InChI

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