N-(3-chloranyl-2-methyl-phenyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(3-chloro-2-methyl-phenyl)acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-(3-chloro-2-methylphenyl)acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(3-chloro-2-methylphenyl)acetamide Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-N-(3-chloro-2-methyl-phenyl)acetamide Formula: C19H23ClN3O3S+ MolecularWeight: 408.92222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN3O3S/c1-15-17(20)8-5-9-18(15)21-19(24)14-22-10-12-23(13-11-22)27(25,26)16-6-3-2-4-7-16/h2-9H,10-14H2,1H3,(H,21,24)/p+1