N-(1,3-benzodioxol-5-ylmethyl)-3-[4-(3-methylbutanoyl)piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[4-(3-methylbutanoyl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[4-(3-methylbutanoyl)piperazine-1-carbonyl]benzenesulfonamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[[4-(3-methyl-1-oxobutyl)-1-piperazinyl]-oxomethyl]benzenesulfonamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[4-(3-methylbutanoyl)piperazine-1-carbonyl]benzenesulfonamide Traditional Name: 3-(4-isovalerylpiperazine-1-carbonyl)-N-piperonyl-benzenesulfonamide Formula: C24H29N3O6S MolecularWeight: 487.56856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H29N3O6S/c1-17(2)12-23(28)26-8-10-27(11-9-26)24(29)19-4-3-5-20(14-19)34(30,31)25-15-18-6-7-21-22(13-18)33-16-32-21/h3-7,13-14,17,25H,8-12,15-16H2,1-2H3