N-[2,6-di(propan-2-yl)phenyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide

Systemtic Name: N-[2,6-di(propan-2-yl)phenyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-(2,6-diisopropylphenyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-[2,6-di(propan-2-yl)phenyl]-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-[2,6-di(propan-2-yl)phenyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-(2,6-diisopropylphenyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C24H34N3O3S+ MolecularWeight: 444.61006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C24H33N3O3S/c1-17(2)21-10-7-11-22(18(3)4)23(21)25-24(28)19-8-6-9-20(16-19)31(29,30)27-14-12-26(5)13-15-27/h6-11,16-18H,12-15H2,1-5H3,(H,25,28)/p+1