1-(phenylsulfonyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide

Systemtic Name: 1-(phenylsulfonyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide Traditional Name: 1-besyl-N-(4-pyrrolidinosulfonylbenzyl)isonipecotamide Formula: C23H29N3O5S2 MolecularWeight: 491.62346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)CNC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)CNC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H29N3O5S2/c27-23(20-12-16-26(17-13-20)32(28,29)21-6-2-1-3-7-21)24-18-19-8-10-22(11-9-19)33(30,31)25-14-4-5-15-25/h1-3,6-11,20H,4-5,12-18H2,(H,24,27)