N-(4-bromanyl-2-methyl-phenyl)-4-oxidanylidene-4-[4-(phenylsulfonyl)piperazin-1-yl]butanamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-4-oxidanylidene-4-[4-(phenylsulfonyl)piperazin-1-yl]butanamide Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-bromo-2-methyl-phenyl)-4-oxo-butanamide CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-N-(4-bromo-2-methylphenyl)-4-oxobutanamide IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-bromo-2-methylphenyl)-4-oxobutanamide Traditional Name: 4-(4-besylpiperazino)-N-(4-bromo-2-methyl-phenyl)-4-keto-butyramide Formula: C21H24BrN3O4S MolecularWeight: 494.40196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O4S/c1-16-15-17(22)7-8-19(16)23-20(26)9-10-21(27)24-11-13-25(14-12-24)30(28,29)18-5-3-2-4-6-18/h2-8,15H,9-14H2,1H3,(H,23,26)