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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2,4,6-trimethyl-benzenesulfonamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2,4,6-trimethyl-benzenesulfonamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2,4,6-trimethylbenzenesulfonamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2,4,6-trimethylbenzenesulfonamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2,4,6-trimethyl-benzenesulfonamide Formula: C21H28N2O4S2 MolecularWeight: 436.58802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O4S2/c1-16-13-17(2)21(18(3)14-16)28(24,25)22-19-9-8-10-20(15-19)29(26,27)23-11-6-4-5-7-12-23/h8-10,13-15,22H,4-7,11-12H2,1-3H3