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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-methyl-N-veratryl-benzamide Formula: C23H29ClN2O5S MolecularWeight: 481.00476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29ClN2O5S/c1-25(16-17-8-11-20(30-2)21(14-17)31-3)23(27)18-9-10-19(24)22(15-18)32(28,29)26-12-6-4-5-7-13-26/h8-11,14-15H,4-7,12-13,16H2,1-3H3