(2S)-N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-cyanophenyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C22H26ClN4O4S+ MolecularWeight: 477.98424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)C(C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)[C@H](C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C22H25ClN4O4S/c1-15-12-19(20(31-3)13-18(15)23)25-22(28)16(2)26-8-10-27(11-9-26)32(29,30)21-7-5-4-6-17(21)14-24/h4-7,12-13,16H,8-11H2,1-3H3,(H,25,28)/p+1/t16-/m0/s1