N-[2-(azepan-1-ylcarbonyl)phenyl]-2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanamide

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)phenyl]-2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanamide Openeye Name: N-[2-(azepane-1-carbonyl)phenyl]-2-[methyl(p-tolylsulfonyl)amino]acetamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]phenyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide IUPAC Name: N-[2-(azepane-1-carbonyl)phenyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide Traditional Name: N-[2-(azepane-1-carbonyl)phenyl]-2-[methyl(tosyl)amino]acetamide Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2=CC=CC=C2C(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2=CC=CC=C2C(=O)N3CCCCCC3

InChI

InChI=1S/C23H29N3O4S/c1-18-11-13-19(14-12-18)31(29,30)25(2)17-22(27)24-21-10-6-5-9-20(21)23(28)26-15-7-3-4-8-16-26/h5-6,9-14H,3-4,7-8,15-17H2,1-2H3,(H,24,27)