N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-ethanoyl-benzenesulfonamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-ethanoyl-benzenesulfonamide Openeye Name: 3-acetyl-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]benzenesulfonamide CAS Name: 3-acetyl-N-[3-(1-azepanylsulfonyl)-4-methylphenyl]benzenesulfonamide IUPAC Name: 3-acetyl-N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]benzenesulfonamide Traditional Name: 3-acetyl-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]benzenesulfonamide Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S2/c1-16-10-11-19(15-21(16)30(27,28)23-12-5-3-4-6-13-23)22-29(25,26)20-9-7-8-18(14-20)17(2)24/h7-11,14-15,22H,3-6,12-13H2,1-2H3