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

Systemtic Name: N-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-benzamide Openeye Name: 3-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N-[2-(2-ethylanilino)-2-oxo-ethyl]benzamide CAS Name: N-[2-(2-ethylanilino)-2-oxoethyl]-3-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]benzamide IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide Traditional Name: 3-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N-[2-(2-ethylanilino)-2-keto-ethyl]benzamide Formula: C28H33N4O4S+ MolecularWeight: 521.65102

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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)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C28H32N4O4S/c1-2-23-11-6-7-14-26(23)30-27(33)20-29-28(34)24-12-8-13-25(19-24)37(35,36)32-17-15-31(16-18-32)21-22-9-4-3-5-10-22/h3-14,19H,2,15-18,20-21H2,1H3,(H,29,34)(H,30,33)/p+1