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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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