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

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-[(4-ethoxyphenyl)methyl]-2-methyl-benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-[(4-ethoxyphenyl)methyl]-2-methyl-benzamide CAS Name: 5-(1-azepanylsulfonyl)-N-[(4-ethoxyphenyl)methyl]-2-methylbenzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-[(4-ethoxyphenyl)methyl]-2-methylbenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-(4-ethoxybenzyl)-2-methyl-benzamide Formula: C23H30N2O4S MolecularWeight: 430.5603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C23H30N2O4S/c1-3-29-20-11-9-19(10-12-20)17-24-23(26)22-16-21(13-8-18(22)2)30(27,28)25-14-6-4-5-7-15-25/h8-13,16H,3-7,14-15,17H2,1-2H3,(H,24,26)