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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(2,4-dimethylphenyl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(2,4-dimethylphenyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-(2,4-dimethylphenyl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(2,4-dimethylphenyl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(2,4-dimethylphenyl)benzamide Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S/c1-16-10-11-20(17(2)14-16)22-21(24)18-8-7-9-19(15-18)27(25,26)23-12-5-3-4-6-13-23/h7-11,14-15H,3-6,12-13H2,1-2H3,(H,22,24)