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

Systemtic Name: (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-thienylsulfonyl)nipecotamide Formula: C18H20N2O5S2 MolecularWeight: 408.4918

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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)OCCO4

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C18H20N2O5S2/c21-18(19-14-5-6-15-16(11-14)25-9-8-24-15)13-3-1-7-20(12-13)27(22,23)17-4-2-10-26-17/h2,4-6,10-11,13H,1,3,7-9,12H2,(H,19,21)/t13-/m0/s1