2-methyl-5-[4-(3-methylbutanoyl)piperazin-1-yl]carbonyl-N-(phenylmethyl)benzenesulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)CC(C)C)S(=O)(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)CC(C)C)S(=O)(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C24H31N3O4S/c1-18(2)15-23(28)26-11-13-27(14-12-26)24(29)21-10-9-19(3)22(16-21)32(30,31)25-17-20-7-5-4-6-8-20/h4-10,16,18,25H,11-15,17H2,1-3H3