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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-yl)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-yl)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(1,3-benzodioxol-5-yl)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-yl)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-yl)benzamide Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H22N2O5S/c23-20(21-16-7-10-18-19(13-16)27-14-26-18)15-5-8-17(9-6-15)28(24,25)22-11-3-1-2-4-12-22/h5-10,13H,1-4,11-12,14H2,(H,21,23)