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

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-[3-(2-ethoxyphenyl)propyl]-2-methyl-benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-[3-(2-ethoxyphenyl)propyl]-2-methyl-benzamide CAS Name: 5-(1-azepanylsulfonyl)-N-[3-(2-ethoxyphenyl)propyl]-2-methylbenzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-[3-(2-ethoxyphenyl)propyl]-2-methylbenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methyl-N-(3-o-phenetylpropyl)benzamide Formula: C25H34N2O4S MolecularWeight: 458.61346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2O4S/c1-3-31-24-13-7-6-11-21(24)12-10-16-26-25(28)23-19-22(15-14-20(23)2)32(29,30)27-17-8-4-5-9-18-27/h6-7,11,13-15,19H,3-5,8-10,12,16-18H2,1-2H3,(H,26,28)