4-[3-(2-oxidanylidenepyrrolidin-1-yl)propylamino]benzenesulfonic acid

Systemtic Name: 4-[3-(2-oxidanylidenepyrrolidin-1-yl)propylamino]benzenesulfonic acid Openeye Name: 4-[3-(2-oxopyrrolidin-1-yl)propylamino]benzenesulfonic acid CAS Name: 4-[3-(2-oxo-1-pyrrolidinyl)propylamino]benzenesulfonic acid IUPAC Name: 4-[3-(2-oxopyrrolidin-1-yl)propylamino]benzenesulfonic acid Traditional Name: 4-[3-(2-ketopyrrolidino)propylamino]besylic acid Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CCCNC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

C1CC(=O)N(C1)CCCNC2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C13H18N2O4S/c16-13-3-1-9-15(13)10-2-8-14-11-4-6-12(7-5-11)20(17,18)19/h4-7,14H,1-3,8-10H2,(H,17,18,19)