N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[methyl(p-tolylsulfonyl)amino]acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[methyl(tosyl)amino]acetamide Formula: C23H31N3O5S2 MolecularWeight: 493.63934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O5S2/c1-18-8-12-21(13-9-18)32(28,29)25(3)17-23(27)24-20-11-10-19(2)22(16-20)33(30,31)26-14-6-4-5-7-15-26/h8-13,16H,4-7,14-15,17H2,1-3H3,(H,24,27)