N-(4-bromanyl-3-methyl-phenyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-4-oxo-4-[4-(p-tolylsulfonyl)piperazin-1-yl]butanamide CAS Name: N-(4-bromo-3-methylphenyl)-4-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-4-oxobutanamide IUPAC Name: N-(4-bromo-3-methylphenyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-4-keto-4-(4-tosylpiperazino)butyramide Formula: C22H26BrN3O4S MolecularWeight: 508.42854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)NC3=CC(=C(C=C3)Br)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)NC3=CC(=C(C=C3)Br)C

InChI

InChI=1S/C22H26BrN3O4S/c1-16-3-6-19(7-4-16)31(29,30)26-13-11-25(12-14-26)22(28)10-9-21(27)24-18-5-8-20(23)17(2)15-18/h3-8,15H,9-14H2,1-2H3,(H,24,27)