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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CC2=CC(=C(C=C2)OC)OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CC2=CC(=C(C=C2)OC)OC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H30N2O5S/c1-17-8-10-19(16-22(17)31(27,28)25-12-6-4-5-7-13-25)24-23(26)15-18-9-11-20(29-2)21(14-18)30-3/h8-11,14,16H,4-7,12-13,15H2,1-3H3,(H,24,26)