N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-4-methyl-benzenesulfonamide Openeye Name: N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-4-methyl-benzenesulfonamide CAS Name: N-[4-[4-(3,3-dimethyl-1-oxobutyl)-1-piperazinyl]phenyl]-4-methylbenzenesulfonamide IUPAC Name: N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-4-methylbenzenesulfonamide Traditional Name: N-[4-[4-(3,3-dimethylbutanoyl)piperazino]phenyl]-4-methyl-benzenesulfonamide Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O3S/c1-18-5-11-21(12-6-18)30(28,29)24-19-7-9-20(10-8-19)25-13-15-26(16-14-25)22(27)17-23(2,3)4/h5-12,24H,13-17H2,1-4H3