N-(4-acetamidophenyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-acetamidophenyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-acetamidophenyl)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-acetamidophenyl)-2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-acetamidophenyl)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-acetamidophenyl)-2-(4-besylpiperazin-1-ium-1-yl)acetamide Formula: C20H25N4O4S+ MolecularWeight: 417.5019

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H24N4O4S/c1-16(25)21-17-7-9-18(10-8-17)22-20(26)15-23-11-13-24(14-12-23)29(27,28)19-5-3-2-4-6-19/h2-10H,11-15H2,1H3,(H,21,25)(H,22,26)/p+1