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

Systemtic Name: 2-[[1-(phenylmethyl)piperidin-4-yl]methylcarbamoyl]benzenesulfonic acid Openeye Name: 2-[(1-benzyl-4-piperidyl)methylcarbamoyl]benzenesulfonic acid CAS Name: 2-[oxo-[[1-(phenylmethyl)-4-piperidinyl]methylamino]methyl]benzenesulfonic acid IUPAC Name: 2-[(1-benzylpiperidin-4-yl)methylcarbamoyl]benzenesulfonic acid Traditional Name: 2-[(1-benzyl-4-piperidyl)methylcarbamoyl]besylic acid Formula: C20H24N2O4S MolecularWeight: 388.48056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNC(=O)C2=CC=CC=C2S(=O)(=O)O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1CNC(=O)C2=CC=CC=C2S(=O)(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C20H24N2O4S/c23-20(18-8-4-5-9-19(18)27(24,25)26)21-14-16-10-12-22(13-11-16)15-17-6-2-1-3-7-17/h1-9,16H,10-15H2,(H,21,23)(H,24,25,26)