3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[(3-ethoxyphenyl)methyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[(3-ethoxyphenyl)methyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(3-ethoxyphenyl)methyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[(3-ethoxyphenyl)methyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(3-ethoxyphenyl)methyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(3-ethoxybenzyl)benzamide Formula: C22H27ClN2O4S MolecularWeight: 450.97878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)CNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOC1=CC=CC(=C1)CNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H27ClN2O4S/c1-2-29-19-9-7-8-17(14-19)16-24-22(26)18-10-11-20(23)21(15-18)30(27,28)25-12-5-3-4-6-13-25/h7-11,14-15H,2-6,12-13,16H2,1H3,(H,24,26)