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

Systemtic Name: (3R)-N-[3-(1,3-benzodioxol-5-ylamino)-3-oxidanylidene-propyl]-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: (3R)-1-(benzenesulfonyl)-N-[3-(1,3-benzodioxol-5-ylamino)-3-oxo-propyl]piperidine-3-carboxamide CAS Name: (3R)-1-(benzenesulfonyl)-N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-3-piperidinecarboxamide IUPAC Name: (3R)-1-(benzenesulfonyl)-N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]piperidine-3-carboxamide Traditional Name: (3R)-N-[3-(1,3-benzodioxol-5-ylamino)-3-keto-propyl]-1-besyl-nipecotamide Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NCCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C[C@H](CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NCCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H25N3O6S/c26-21(24-17-8-9-19-20(13-17)31-15-30-19)10-11-23-22(27)16-5-4-12-25(14-16)32(28,29)18-6-2-1-3-7-18/h1-3,6-9,13,16H,4-5,10-12,14-15H2,(H,23,27)(H,24,26)/t16-/m1/s1