3-bromanyl-N-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]benzamide

Systemtic Name: 3-bromanyl-N-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]benzamide Openeye Name: 3-bromo-N-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]benzamide CAS Name: 3-bromo-N-[2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]benzamide IUPAC Name: 3-bromo-N-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]benzamide Traditional Name: 3-bromo-N-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazino]-2-keto-ethyl]benzamide Formula: C21H24BrN3O4S MolecularWeight: 494.40196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O4S/c1-15-6-7-19(16(2)12-15)30(28,29)25-10-8-24(9-11-25)20(26)14-23-21(27)17-4-3-5-18(22)13-17/h3-7,12-13H,8-11,14H2,1-2H3,(H,23,27)