benzenesulfonic acid; N-(4-phenylpiperidin-4-yl)pyrrolidine-1-carboxamide

Systemtic Name: benzenesulfonic acid; N-(4-phenylpiperidin-4-yl)pyrrolidine-1-carboxamide Openeye Name: benzenesulfonic acid; N-(4-phenyl-4-piperidyl)pyrrolidine-1-carboxamide CAS Name: benzenesulfonic acid; N-(4-phenyl-4-piperidinyl)-1-pyrrolidinecarboxamide IUPAC Name: benzenesulfonic acid; N-(4-phenylpiperidin-4-yl)pyrrolidine-1-carboxamide Traditional Name: besylic acid; N-(4-phenyl-4-piperidyl)pyrrolidine-1-carboxamide Formula: C22H29N3O4S MolecularWeight: 431.54836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)NC2(CCNCC2)C3=CC=CC=C3.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

C1CCN(C1)C(=O)NC2(CCNCC2)C3=CC=CC=C3.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C16H23N3O.C6H6O3S/c20-15(19-12-4-5-13-19)18-16(8-10-17-11-9-16)14-6-2-1-3-7-14;7-10(8,9)6-4-2-1-3-5-6/h1-3,6-7,17H,4-5,8-13H2,(H,18,20);1-5H,(H,7,8,9)