4-[[(2S)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propanoyl]amino]benzamide

Systemtic Name: 4-[[(2S)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propanoyl]amino]benzamide Openeye Name: 4-[[(2S)-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]propanoyl]amino]benzamide CAS Name: 4-[[(2S)-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[[(2S)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propanoyl]amino]benzamide Traditional Name: 4-[[(2S)-2-(4-tosylpiperazin-1-ium-1-yl)propanoyl]amino]benzamide Formula: C21H27N4O4S+ MolecularWeight: 431.52848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C)C(=O)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@@H](C)C(=O)NC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C21H26N4O4S/c1-15-3-9-19(10-4-15)30(28,29)25-13-11-24(12-14-25)16(2)21(27)23-18-7-5-17(6-8-18)20(22)26/h3-10,16H,11-14H2,1-2H3,(H2,22,26)(H,23,27)/p+1/t16-/m0/s1