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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylphenyl)sulfonyl-ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(p-tolylsulfonyl)acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(4-methylphenyl)sulfonylacetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylphenyl)sulfonylacetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-tosyl-acetamide Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S2/c1-17-6-10-19(11-7-17)29(25,26)16-21(24)22-18-8-12-20(13-9-18)30(27,28)23-14-4-2-3-5-15-23/h6-13H,2-5,14-16H2,1H3,(H,22,24)