5-(azepan-1-ylsulfonyl)-N-(3,4-dimethylphenyl)-2-methoxy-benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-(3,4-dimethylphenyl)-2-methoxy-benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-(3,4-dimethylphenyl)-2-methoxy-benzamide CAS Name: 5-(1-azepanylsulfonyl)-N-(3,4-dimethylphenyl)-2-methoxybenzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-(3,4-dimethylphenyl)-2-methoxybenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-(3,4-dimethylphenyl)-2-methoxy-benzamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4S/c1-16-8-9-18(14-17(16)2)23-22(25)20-15-19(10-11-21(20)28-3)29(26,27)24-12-6-4-5-7-13-24/h8-11,14-15H,4-7,12-13H2,1-3H3,(H,23,25)