N-[2-methoxy-5-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-phenyl]ethanamide

Systemtic Name: N-[2-methoxy-5-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-phenyl]ethanamide Openeye Name: N-[2-methoxy-5-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]sulfonyl-phenyl]acetamide CAS Name: N-[2-methoxy-5-[[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[2-methoxy-5-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[2-methoxy-5-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]sulfonyl-phenyl]acetamide Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)NC(=O)C

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)NC(=O)C

InChI

InChI=1S/C21H27N3O4S/c1-16-6-4-5-7-18(16)15-23-10-12-24(13-11-23)29(26,27)19-8-9-21(28-3)20(14-19)22-17(2)25/h4-9,14H,10-13,15H2,1-3H3,(H,22,25)/p+1