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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-methylsulfonyl-benzenesulfonamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-methylsulfonyl-benzenesulfonamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-4-methylsulfonylbenzenesulfonamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-methylsulfonylbenzenesulfonamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-mesyl-benzenesulfonamide Formula: C20H26N2O6S3 MolecularWeight: 486.62524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O6S3/c1-16-7-8-17(15-20(16)31(27,28)22-13-5-3-4-6-14-22)21-30(25,26)19-11-9-18(10-12-19)29(2,23)24/h7-12,15,21H,3-6,13-14H2,1-2H3