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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

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