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

Systemtic Name: N-(3-iodanyl-4-methyl-phenyl)-3-(4-methylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(3-iodo-4-methyl-phenyl)-3-(4-methylpiperazin-1-yl)sulfonyl-benzamide CAS Name: N-(3-iodo-4-methylphenyl)-3-[(4-methyl-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(3-iodo-4-methylphenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(3-iodo-4-methyl-phenyl)-3-(4-methylpiperazino)sulfonyl-benzamide Formula: C19H22IN3O3S MolecularWeight: 499.36575

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22IN3O3S/c1-14-6-7-16(13-18(14)20)21-19(24)15-4-3-5-17(12-15)27(25,26)23-10-8-22(2)9-11-23/h3-7,12-13H,8-11H2,1-2H3,(H,21,24)