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

Systemtic Name: N-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-[2-(2-ethylanilino)-2-oxo-ethyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-[2-(2-ethylanilino)-2-oxoethyl]-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-[2-(2-ethylanilino)-2-oxoethyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-[2-(2-ethylanilino)-2-keto-ethyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C22H29N4O4S+ MolecularWeight: 445.55506

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C22H28N4O4S/c1-3-17-7-4-5-10-20(17)24-21(27)16-23-22(28)18-8-6-9-19(15-18)31(29,30)26-13-11-25(2)12-14-26/h4-10,15H,3,11-14,16H2,1-2H3,(H,23,28)(H,24,27)/p+1