benzenesulfonic acid; 4-phenyl-N-pyrrolidin-1-yl-piperidine-4-carboxamide

Systemtic Name: benzenesulfonic acid; 4-phenyl-N-pyrrolidin-1-yl-piperidine-4-carboxamide Openeye Name: benzenesulfonic acid; 4-phenyl-N-pyrrolidin-1-yl-piperidine-4-carboxamide CAS Name: benzenesulfonic acid; 4-phenyl-N-(1-pyrrolidinyl)-4-piperidinecarboxamide IUPAC Name: benzenesulfonic acid; 4-phenyl-N-pyrrolidin-1-ylpiperidine-4-carboxamide Traditional Name: besylic acid; 4-phenyl-N-pyrrolidino-isonipecotamide Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)NC(=O)C2(CCNCC2)C3=CC=CC=C3.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

C1CCN(C1)NC(=O)C2(CCNCC2)C3=CC=CC=C3.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C16H23N3O.C6H6O3S/c20-15(18-19-12-4-5-13-19)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)