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

Systemtic Name: 2-chloranyl-N-(4-methoxyphenyl)-5-[4-(3-methylbutanoyl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: 2-chloro-N-(4-methoxyphenyl)-5-[4-(3-methylbutanoyl)piperazine-1-carbonyl]benzenesulfonamide CAS Name: 2-chloro-N-(4-methoxyphenyl)-5-[[4-(3-methyl-1-oxobutyl)-1-piperazinyl]-oxomethyl]benzenesulfonamide IUPAC Name: 2-chloro-N-(4-methoxyphenyl)-5-[4-(3-methylbutanoyl)piperazine-1-carbonyl]benzenesulfonamide Traditional Name: 2-chloro-5-(4-isovalerylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide Formula: C23H28ClN3O5S MolecularWeight: 494.00352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C23H28ClN3O5S/c1-16(2)14-22(28)26-10-12-27(13-11-26)23(29)17-4-9-20(24)21(15-17)33(30,31)25-18-5-7-19(32-3)8-6-18/h4-9,15-16,25H,10-14H2,1-3H3