N-[3-[4-(3-methylbutanoyl)piperazin-1-yl]carbonylphenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[3-[4-(3-methylbutanoyl)piperazin-1-yl]carbonylphenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[3-[4-(3-methylbutanoyl)piperazine-1-carbonyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[3-[[4-(3-methyl-1-oxobutyl)-1-piperazinyl]-oxomethyl]phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[3-[4-(3-methylbutanoyl)piperazine-1-carbonyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[3-(4-isovalerylpiperazine-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide 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)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

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