4-tert-butyl-N-[4-(4-octanoylpiperazin-1-yl)phenyl]benzenesulfonamide

Systemtic Name: 4-tert-butyl-N-[4-(4-octanoylpiperazin-1-yl)phenyl]benzenesulfonamide Openeye Name: 4-tert-butyl-N-[4-(4-octanoylpiperazin-1-yl)phenyl]benzenesulfonamide CAS Name: 4-tert-butyl-N-[4-[4-(1-oxooctyl)-1-piperazinyl]phenyl]benzenesulfonamide IUPAC Name: 4-tert-butyl-N-[4-(4-octanoylpiperazin-1-yl)phenyl]benzenesulfonamide Traditional Name: 4-tert-butyl-N-[4-(4-caprylylpiperazino)phenyl]benzenesulfonamide Formula: C28H41N3O3S MolecularWeight: 499.70844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C28H41N3O3S/c1-5-6-7-8-9-10-27(32)31-21-19-30(20-22-31)25-15-13-24(14-16-25)29-35(33,34)26-17-11-23(12-18-26)28(2,3)4/h11-18,29H,5-10,19-22H2,1-4H3