N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-N-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-N-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C22H28BrN4O4S+ MolecularWeight: 524.45112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrN4O4S/c1-16-13-18(23)7-8-20(16)24-21(28)15-26(3)22(29)17-5-4-6-19(14-17)32(30,31)27-11-9-25(2)10-12-27/h4-8,13-14H,9-12,15H2,1-3H3,(H,24,28)/p+1