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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[(4-ethoxyphenyl)methyl]-N-methyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(4-ethoxyphenyl)methyl]-N-methyl-benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[(4-ethoxyphenyl)methyl]-N-methylbenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(4-ethoxyphenyl)methyl]-N-methylbenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(4-ethoxybenzyl)-N-methyl-benzamide Formula: C23H29ClN2O4S MolecularWeight: 465.00536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN(C)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)CN(C)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H29ClN2O4S/c1-3-30-20-11-8-18(9-12-20)17-25(2)23(27)19-10-13-21(24)22(16-19)31(28,29)26-14-6-4-5-7-15-26/h8-13,16H,3-7,14-15,17H2,1-2H3