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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

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