5-(azepan-1-ylsulfonyl)-2-chloranyl-N-(3,4-dimethoxyphenyl)benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-chloranyl-N-(3,4-dimethoxyphenyl)benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-(3,4-dimethoxyphenyl)benzamide CAS Name: 5-(1-azepanylsulfonyl)-2-chloro-N-(3,4-dimethoxyphenyl)benzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-(3,4-dimethoxyphenyl)benzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-(3,4-dimethoxyphenyl)benzamide Formula: C21H25ClN2O5S MolecularWeight: 452.9516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl)OC

InChI

InChI=1S/C21H25ClN2O5S/c1-28-19-10-7-15(13-20(19)29-2)23-21(25)17-14-16(8-9-18(17)22)30(26,27)24-11-5-3-4-6-12-24/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,23,25)