(3S)-N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxidanylidene-propyl]-1-(phenylsulfonyl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxidanylidene-propyl]-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(benzenesulfonyl)-N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxo-propyl]piperidine-3-carboxamide CAS Name: (3S)-1-(benzenesulfonyl)-N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(benzenesulfonyl)-N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]piperidine-3-carboxamide Traditional Name: (3S)-1-besyl-N-[3-keto-3-(piperonylamino)propyl]nipecotamide Formula: C23H27N3O6S MolecularWeight: 473.54198

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NCCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NCCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H27N3O6S/c27-22(25-14-17-8-9-20-21(13-17)32-16-31-20)10-11-24-23(28)18-5-4-12-26(15-18)33(29,30)19-6-2-1-3-7-19/h1-3,6-9,13,18H,4-5,10-12,14-16H2,(H,24,28)(H,25,27)/t18-/m0/s1