N-(3-acetamidophenyl)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-benzamide

Systemtic Name: N-(3-acetamidophenyl)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-benzamide Openeye Name: N-(3-acetamidophenyl)-3-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-(3-acetamidophenyl)-3-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]benzamide IUPAC Name: N-(3-acetamidophenyl)-3-(4-benzylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-(3-acetamidophenyl)-3-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C26H29N4O4S+ MolecularWeight: 493.59786

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H28N4O4S/c1-20(31)27-23-10-6-11-24(18-23)28-26(32)22-9-5-12-25(17-22)35(33,34)30-15-13-29(14-16-30)19-21-7-3-2-4-8-21/h2-12,17-18H,13-16,19H2,1H3,(H,27,31)(H,28,32)/p+1