N-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-5-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-5-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-5-(1-piperidylsulfonyl)benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-5-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-5-piperidin-1-ylsulfonylbenzamide Traditional Name: 2-methoxy-5-piperidinosulfonyl-N-piperonyl-benzamide Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24N2O6S/c1-27-18-8-6-16(30(25,26)23-9-3-2-4-10-23)12-17(18)21(24)22-13-15-5-7-19-20(11-15)29-14-28-19/h5-8,11-12H,2-4,9-10,13-14H2,1H3,(H,22,24)