N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2,5-dimethyl-benzamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2,5-dimethyl-benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2,5-dimethyl-benzamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2,5-dimethylbenzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2,5-dimethylbenzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2,5-dimethyl-benzamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H28N2O3S/c1-16-8-9-17(2)20(14-16)22(25)23-19-11-10-18(3)21(15-19)28(26,27)24-12-6-4-5-7-13-24/h8-11,14-15H,4-7,12-13H2,1-3H3,(H,23,25)