3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-chloranyl-2,5-dimethoxy-phenyl)propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-chloranyl-2,5-dimethoxy-phenyl)propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-chloro-2,5-dimethoxy-phenyl)propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-(4-chloro-2,5-dimethoxyphenyl)propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-chloro-2,5-dimethoxyphenyl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-chloro-2,5-dimethoxy-phenyl)propionamide Formula: C23H29ClN2O5S MolecularWeight: 481.00476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)OC)Cl

InChI

InChI=1S/C23H29ClN2O5S/c1-30-21-16-20(22(31-2)15-19(21)24)25-23(27)12-9-17-7-10-18(11-8-17)32(28,29)26-13-5-3-4-6-14-26/h7-8,10-11,15-16H,3-6,9,12-14H2,1-2H3,(H,25,27)