2-[[1-(phenylmethyl)piperidin-4-yl]amino]benzenesulfonic acid

Systemtic Name: 2-[[1-(phenylmethyl)piperidin-4-yl]amino]benzenesulfonic acid Openeye Name: 2-[(1-benzyl-4-piperidyl)amino]benzenesulfonic acid CAS Name: 2-[[1-(phenylmethyl)-4-piperidinyl]amino]benzenesulfonic acid IUPAC Name: 2-[(1-benzylpiperidin-4-yl)amino]benzenesulfonic acid Traditional Name: 2-[(1-benzyl-4-piperidyl)amino]besylic acid Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=CC=CC=C2S(=O)(=O)O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1NC2=CC=CC=C2S(=O)(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C18H22N2O3S/c21-24(22,23)18-9-5-4-8-17(18)19-16-10-12-20(13-11-16)14-15-6-2-1-3-7-15/h1-9,16,19H,10-14H2,(H,21,22,23)