N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-2,4,6-trimethyl-benzenesulfonamide

Systemtic Name: N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-2,4,6-trimethyl-benzenesulfonamide Openeye Name: N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-2,4,6-trimethyl-benzenesulfonamide CAS Name: N-[4-[4-(3,3-dimethyl-1-oxobutyl)-1-piperazinyl]phenyl]-2,4,6-trimethylbenzenesulfonamide IUPAC Name: N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-2,4,6-trimethylbenzenesulfonamide Traditional Name: N-[4-[4-(3,3-dimethylbutanoyl)piperazino]phenyl]-2,4,6-trimethyl-benzenesulfonamide Formula: C25H35N3O3S MolecularWeight: 457.6287

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)CC(C)(C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)CC(C)(C)C)C

InChI

InChI=1S/C25H35N3O3S/c1-18-15-19(2)24(20(3)16-18)32(30,31)26-21-7-9-22(10-8-21)27-11-13-28(14-12-27)23(29)17-25(4,5)6/h7-10,15-16,26H,11-14,17H2,1-6H3