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

Systemtic Name: (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1-methylpyrazol-4-yl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1-methylpyrazol-4-yl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(1-methyl-4-pyrazolyl)sulfonyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1-methylpyrazol-4-yl)sulfonyl-nipecotamide Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CN1C=C(C=N1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C18H22N4O5S/c1-21-12-15(10-19-21)28(24,25)22-6-2-3-13(11-22)18(23)20-14-4-5-16-17(9-14)27-8-7-26-16/h4-5,9-10,12-13H,2-3,6-8,11H2,1H3,(H,20,23)/t13-/m0/s1