N-(2-methylphenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2-methylphenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: 2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]-N-(o-tolyl)acetamide CAS Name: N-(2-methylphenyl)-2-[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methylphenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: 2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]-N-(o-tolyl)acetamide Formula: C23H26N3O3S+ MolecularWeight: 424.53584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H25N3O3S/c1-18-6-2-5-9-22(18)24-23(27)17-25-12-14-26(15-13-25)30(28,29)21-11-10-19-7-3-4-8-20(19)16-21/h2-11,16H,12-15,17H2,1H3,(H,24,27)/p+1