3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(2-methyl-6-propan-2-yl-phenyl)benzamide

Systemtic Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(2-methyl-6-propan-2-yl-phenyl)benzamide Openeye Name: N-(2-isopropyl-6-methyl-phenyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: 3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-N-(2-methyl-6-propan-2-ylphenyl)benzamide IUPAC Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(2-methyl-6-propan-2-ylphenyl)benzamide Traditional Name: N-(2-isopropyl-6-methyl-phenyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C22H29N3O3S/c1-16(2)20-10-5-7-17(3)21(20)23-22(26)18-8-6-9-19(15-18)29(27,28)25-13-11-24(4)12-14-25/h5-10,15-16H,11-14H2,1-4H3,(H,23,26)/p+1