N-(4-bromanyl-3-methyl-phenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide CAS Name: N-(4-bromo-3-methylphenyl)-4-[(4-methylsulfonyl-1-piperazinyl)methyl]benzamide IUPAC Name: N-(4-bromo-3-methylphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-4-[(4-mesylpiperazino)methyl]benzamide Formula: C20H24BrN3O3S MolecularWeight: 466.39186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)S(=O)(=O)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)S(=O)(=O)C)Br

InChI

InChI=1S/C20H24BrN3O3S/c1-15-13-18(7-8-19(15)21)22-20(25)17-5-3-16(4-6-17)14-23-9-11-24(12-10-23)28(2,26)27/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)