3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2,4-dimethoxyphenyl)propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2,4-dimethoxyphenyl)propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2,4-dimethoxyphenyl)propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-(2,4-dimethoxyphenyl)propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2,4-dimethoxyphenyl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2,4-dimethoxyphenyl)propionamide Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C23H30N2O5S/c1-29-19-10-13-21(22(17-19)30-2)24-23(26)14-9-18-7-11-20(12-8-18)31(27,28)25-15-5-3-4-6-16-25/h7-8,10-13,17H,3-6,9,14-16H2,1-2H3,(H,24,26)