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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=CC(=C1OC)CCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

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