5-(azepan-1-ylsulfonyl)-2-chloranyl-N-[(2-ethoxyphenyl)methyl]benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-chloranyl-N-[(2-ethoxyphenyl)methyl]benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-[(2-ethoxyphenyl)methyl]benzamide CAS Name: 5-(1-azepanylsulfonyl)-2-chloro-N-[(2-ethoxyphenyl)methyl]benzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-[(2-ethoxyphenyl)methyl]benzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-ethoxybenzyl)benzamide Formula: C22H27ClN2O4S MolecularWeight: 450.97878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl

Isomeric SMILES

CCOC1=CC=CC=C1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl

InChI

InChI=1S/C22H27ClN2O4S/c1-2-29-21-10-6-5-9-17(21)16-24-22(26)19-15-18(11-12-20(19)23)30(27,28)25-13-7-3-4-8-14-25/h5-6,9-12,15H,2-4,7-8,13-14,16H2,1H3,(H,24,26)