3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[(2-ethoxyphenyl)methyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[(2-ethoxyphenyl)methyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(2-ethoxyphenyl)methyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[(2-ethoxyphenyl)methyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(2-ethoxyphenyl)methyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-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=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN2O4S/c1-2-29-20-10-6-5-9-18(20)16-24-22(26)17-11-12-19(23)21(15-17)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)