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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-cyano-benzenesulfonamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-cyano-benzenesulfonamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3-cyanobenzenesulfonamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-cyanobenzenesulfonamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-cyano-benzenesulfonamide Formula: C20H23N3O4S2 MolecularWeight: 433.54432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O4S2/c1-16-9-10-18(22-28(24,25)19-8-6-7-17(13-19)15-21)14-20(16)29(26,27)23-11-4-2-3-5-12-23/h6-10,13-14,22H,2-5,11-12H2,1H3