5-(azepan-1-ylsulfonyl)-2-chloranyl-N-[3-(2-ethoxyphenyl)propyl]benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-chloranyl-N-[3-(2-ethoxyphenyl)propyl]benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-[3-(2-ethoxyphenyl)propyl]benzamide CAS Name: 5-(1-azepanylsulfonyl)-2-chloro-N-[3-(2-ethoxyphenyl)propyl]benzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-[3-(2-ethoxyphenyl)propyl]benzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-(3-o-phenetylpropyl)benzamide Formula: C24H31ClN2O4S MolecularWeight: 479.03194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CCCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl

Isomeric SMILES

CCOC1=CC=CC=C1CCCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl

InChI

InChI=1S/C24H31ClN2O4S/c1-2-31-23-12-6-5-10-19(23)11-9-15-26-24(28)21-18-20(13-14-22(21)25)32(29,30)27-16-7-3-4-8-17-27/h5-6,10,12-14,18H,2-4,7-9,11,15-17H2,1H3,(H,26,28)