N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(4-chloro-2-methoxy-5-methyl-phenyl)acetamide CAS Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide Traditional Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(4-chloro-2-methoxy-5-methyl-phenyl)acetamide Formula: C21H27ClN3O4S+ MolecularWeight: 452.97478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H26ClN3O4S/c1-16-12-19(20(29-2)13-18(16)22)23-21(26)14-24-8-10-25(11-9-24)30(27,28)15-17-6-4-3-5-7-17/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,23,26)/p+1