N-(3-methylphenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-methylphenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(m-tolyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(3-methylphenyl)-2-[4-(2-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-methylphenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(m-tolyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C19H23N4O5S+ MolecularWeight: 419.47472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O5S/c1-15-5-4-6-16(13-15)20-19(24)14-21-9-11-22(12-10-21)29(27,28)18-8-3-2-7-17(18)23(25)26/h2-8,13H,9-12,14H2,1H3,(H,20,24)/p+1