3-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-yl)-4-methyl-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-yl)-4-methyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-yl)-4-methyl-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-(1,3-benzodioxol-5-yl)-4-methylbenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-yl)-4-methylbenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-yl)-4-methyl-benzamide Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C21H24N2O5S/c1-15-6-7-16(12-20(15)29(25,26)23-10-4-2-3-5-11-23)21(24)22-17-8-9-18-19(13-17)28-14-27-18/h6-9,12-13H,2-5,10-11,14H2,1H3,(H,22,24)