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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-chloranyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-chloro-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-chlorobenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-chlorobenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-chloro-benzamide Formula: C22H25ClN2O5S MolecularWeight: 464.9623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCO2)NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H25ClN2O5S/c1-15(16-7-9-19-20(12-16)30-14-29-19)24-22(26)17-6-8-18(23)21(13-17)31(27,28)25-10-4-2-3-5-11-25/h6-9,12-13,15H,2-5,10-11,14H2,1H3,(H,24,26)