4-[(phenylmethyl)-pyrrolidin-3-yl-amino]benzenesulfonic acid

Systemtic Name: 4-[(phenylmethyl)-pyrrolidin-3-yl-amino]benzenesulfonic acid Openeye Name: 4-[benzyl(pyrrolidin-3-yl)amino]benzenesulfonic acid CAS Name: 4-[(phenylmethyl)-(3-pyrrolidinyl)amino]benzenesulfonic acid IUPAC Name: 4-[benzyl(pyrrolidin-3-yl)amino]benzenesulfonic acid Traditional Name: 4-[benzyl(pyrrolidin-3-yl)amino]besylic acid Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1N(CC2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

C1CNCC1N(CC2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C17H20N2O3S/c20-23(21,22)17-8-6-15(7-9-17)19(16-10-11-18-12-16)13-14-4-2-1-3-5-14/h1-9,16,18H,10-13H2,(H,20,21,22)