N-[2-methoxy-4-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-phenyl]ethanamide

Systemtic Name: N-[2-methoxy-4-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-phenyl]ethanamide Openeye Name: N-[2-methoxy-4-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]sulfonyl-phenyl]acetamide CAS Name: N-[2-methoxy-4-[[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[2-methoxy-4-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[2-methoxy-4-[4-(3-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=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)NC(=O)C)OC

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)NC(=O)C)OC

InChI

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