4-[(1-ethylpyrrolidin-2-yl)methylamino]benzenesulfonic acid

Systemtic Name: 4-[(1-ethylpyrrolidin-2-yl)methylamino]benzenesulfonic acid Openeye Name: 4-[(1-ethylpyrrolidin-2-yl)methylamino]benzenesulfonic acid CAS Name: 4-[(1-ethyl-2-pyrrolidinyl)methylamino]benzenesulfonic acid IUPAC Name: 4-[(1-ethylpyrrolidin-2-yl)methylamino]benzenesulfonic acid Traditional Name: 4-[(1-ethylpyrrolidin-2-yl)methylamino]besylic acid Formula: C13H20N2O3S MolecularWeight: 284.3745

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CCN1CCCC1CNC2=CC=C(C=C2)S(=O)(=O)O

InChI

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