(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(phenylmethyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(phenylmethyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-1-benzylsulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide CAS Name: (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(phenylmethyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-1-benzylsulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide Traditional Name: (3S)-1-benzylsulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)nipecotamide Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)CC2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)CC2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H24N2O5S/c24-21(22-18-8-9-19-20(13-18)28-12-11-27-19)17-7-4-10-23(14-17)29(25,26)15-16-5-2-1-3-6-16/h1-3,5-6,8-9,13,17H,4,7,10-12,14-15H2,(H,22,24)/t17-/m0/s1