N-(2-bromanyl-4-methyl-phenyl)-3-(4-methylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-3-(4-methylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-3-(4-methylpiperazin-1-yl)sulfonyl-benzamide CAS Name: N-(2-bromo-4-methylphenyl)-3-[(4-methyl-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(2-bromo-4-methylphenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-3-(4-methylpiperazino)sulfonyl-benzamide Formula: C19H22BrN3O3S MolecularWeight: 452.36528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C)Br

InChI

InChI=1S/C19H22BrN3O3S/c1-14-6-7-18(17(20)12-14)21-19(24)15-4-3-5-16(13-15)27(25,26)23-10-8-22(2)9-11-23/h3-7,12-13H,8-11H2,1-2H3,(H,21,24)