3-(azepan-1-ylsulfonyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methyl-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methyl-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylbenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylbenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methyl-benzamide Formula: C24H32N2O5S MolecularWeight: 460.58628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N2O5S/c1-17-9-10-20(16-23(17)32(28,29)26-13-7-5-6-8-14-26)24(27)25-18(2)19-11-12-21(30-3)22(15-19)31-4/h9-12,15-16,18H,5-8,13-14H2,1-4H3,(H,25,27)