N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(2-methylpropyl)benzenesulfonamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(2-methylpropyl)benzenesulfonamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-isobutyl-benzenesulfonamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-4-(2-methylpropyl)benzenesulfonamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(2-methylpropyl)benzenesulfonamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-isobutyl-benzenesulfonamide Formula: C22H30N2O4S2 MolecularWeight: 450.6146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O4S2/c1-18(2)17-19-7-11-21(12-8-19)29(25,26)23-20-9-13-22(14-10-20)30(27,28)24-15-5-3-4-6-16-24/h7-14,18,23H,3-6,15-17H2,1-2H3