2,5-dimethyl-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]carbonylphenyl]benzenesulfonamide

Systemtic Name: 2,5-dimethyl-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]carbonylphenyl]benzenesulfonamide Openeye Name: 2,5-dimethyl-N-[4-[4-(3-methylbutanoyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide CAS Name: 2,5-dimethyl-N-[4-[[4-(3-methyl-1-oxobutyl)-1-piperazinyl]-oxomethyl]phenyl]benzenesulfonamide IUPAC Name: 2,5-dimethyl-N-[4-[4-(3-methylbutanoyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide Traditional Name: N-[4-(4-isovalerylpiperazine-1-carbonyl)phenyl]-2,5-dimethyl-benzenesulfonamide Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O4S/c1-17(2)15-23(28)26-11-13-27(14-12-26)24(29)20-7-9-21(10-8-20)25-32(30,31)22-16-18(3)5-6-19(22)4/h5-10,16-17,25H,11-15H2,1-4H3