N-(4-methoxyphenyl)-4-[[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzamide

Systemtic Name: N-(4-methoxyphenyl)-4-[[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzamide Openeye Name: 4-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-N-(4-methoxyphenyl)benzamide CAS Name: N-(4-methoxyphenyl)-4-[[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]methyl]benzamide IUPAC Name: 4-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-N-(4-methoxyphenyl)benzamide Traditional Name: 4-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-N-(4-methoxyphenyl)benzamide Formula: C26H30N3O4S+ MolecularWeight: 480.5991

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C[NH+]3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C[NH+]3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O4S/c1-33-25-13-11-24(12-14-25)27-26(30)23-9-7-21(8-10-23)19-28-15-17-29(18-16-28)34(31,32)20-22-5-3-2-4-6-22/h2-14H,15-20H2,1H3,(H,27,30)/p+1