(3S)-N-(1,3-benzodioxol-5-yl)-1-(phenylmethyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-(phenylmethyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-benzylsulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-(phenylmethyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-benzylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-benzylsulfonyl-nipecotamide Formula: C20H22N2O5S MolecularWeight: 402.46408

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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)OCO4

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)CC2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H22N2O5S/c23-20(21-17-8-9-18-19(11-17)27-14-26-18)16-7-4-10-22(12-16)28(24,25)13-15-5-2-1-3-6-15/h1-3,5-6,8-9,11,16H,4,7,10,12-14H2,(H,21,23)/t16-/m0/s1