(3S)-N-(1,3-benzodioxol-5-yl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-(2-thienylsulfonyl)nipecotamide Formula: C17H18N2O5S2 MolecularWeight: 394.46522

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H18N2O5S2/c20-17(18-13-5-6-14-15(9-13)24-11-23-14)12-3-1-7-19(10-12)26(21,22)16-4-2-8-25-16/h2,4-6,8-9,12H,1,3,7,10-11H2,(H,18,20)/t12-/m0/s1