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

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2O4S/c1-3-31-23-13-7-6-11-21(23)12-10-16-26-25(28)22-15-14-20(2)24(19-22)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)