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

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-yl)-2-chloranyl-benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-yl)-2-chloro-benzamide CAS Name: 5-(1-azepanylsulfonyl)-N-(1,3-benzodioxol-5-yl)-2-chlorobenzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-yl)-2-chlorobenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-yl)-2-chloro-benzamide Formula: C20H21ClN2O5S MolecularWeight: 436.90914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O5S/c21-17-7-6-15(29(25,26)23-9-3-1-2-4-10-23)12-16(17)20(24)22-14-5-8-18-19(11-14)28-13-27-18/h5-8,11-12H,1-4,9-10,13H2,(H,22,24)