N-[3-(azepan-1-ylsulfonyl)-2,6-dimethyl-phenyl]-N,4-dimethyl-benzenesulfonamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-2,6-dimethyl-phenyl]-N,4-dimethyl-benzenesulfonamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-2,6-dimethyl-phenyl]-N,4-dimethyl-benzenesulfonamide CAS Name: N-[3-(1-azepanylsulfonyl)-2,6-dimethylphenyl]-N,4-dimethylbenzenesulfonamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-2,6-dimethylphenyl]-N,4-dimethylbenzenesulfonamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-2,6-dimethyl-phenyl]-N,4-dimethyl-benzenesulfonamide Formula: C22H30N2O4S2 MolecularWeight: 450.6146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=C(C=CC(=C2C)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=C(C=CC(=C2C)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C22H30N2O4S2/c1-17-9-12-20(13-10-17)29(25,26)23(4)22-18(2)11-14-21(19(22)3)30(27,28)24-15-7-5-6-8-16-24/h9-14H,5-8,15-16H2,1-4H3