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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-yl)-4-chloranyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-yl)-4-chloro-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-(1,3-benzodioxol-5-yl)-4-chlorobenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-yl)-4-chlorobenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-yl)-4-chloro-benzamide Formula: C20H21ClN2O5S MolecularWeight: 436.90914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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