N-[[(3S)-1-[2-(dimethylamino)phenyl]carbonylpiperidin-3-yl]methyl]-4-methoxy-benzenesulfonamide

Systemtic Name: N-[[(3S)-1-[2-(dimethylamino)phenyl]carbonylpiperidin-3-yl]methyl]-4-methoxy-benzenesulfonamide Openeye Name: N-[[(3S)-1-[2-(dimethylamino)benzoyl]-3-piperidyl]methyl]-4-methoxy-benzenesulfonamide CAS Name: N-[[(3S)-1-[[2-(dimethylamino)phenyl]-oxomethyl]-3-piperidinyl]methyl]-4-methoxybenzenesulfonamide IUPAC Name: N-[[(3S)-1-[2-(dimethylamino)benzoyl]piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide Traditional Name: N-[[(3S)-1-[2-(dimethylamino)benzoyl]-3-piperidyl]methyl]-4-methoxy-benzenesulfonamide Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC=C1C(=O)N2CCCC(C2)CNS(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CN(C)C1=CC=CC=C1C(=O)N2CCC[C@@H](C2)CNS(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H29N3O4S/c1-24(2)21-9-5-4-8-20(21)22(26)25-14-6-7-17(16-25)15-23-30(27,28)19-12-10-18(29-3)11-13-19/h4-5,8-13,17,23H,6-7,14-16H2,1-3H3/t17-/m1/s1