5-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-yl)-2-methoxy-benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-yl)-2-methoxy-benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-yl)-2-methoxy-benzamide CAS Name: 5-(1-azepanylsulfonyl)-N-(1,3-benzodioxol-5-yl)-2-methoxybenzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-yl)-2-methoxybenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-yl)-2-methoxy-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)N2CCCCCC2)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24N2O6S/c1-27-18-9-7-16(30(25,26)23-10-4-2-3-5-11-23)13-17(18)21(24)22-15-6-8-19-20(12-15)29-14-28-19/h6-9,12-13H,2-5,10-11,14H2,1H3,(H,22,24)