2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[3-(1-azepanylsulfonyl)-4-methylanilino]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-N-(2,6-dimethylphenyl)acetamide Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CNC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CNC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H31N3O3S/c1-17-11-12-20(15-21(17)30(28,29)26-13-6-4-5-7-14-26)24-16-22(27)25-23-18(2)9-8-10-19(23)3/h8-12,15,24H,4-7,13-14,16H2,1-3H3,(H,25,27)