(2S)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-methoxyphenyl)propanamide

Systemtic Name: (2S)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-methoxyphenyl)propanamide Openeye Name: (2S)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-methoxyphenyl)propanamide CAS Name: (2S)-2-[4-(2-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(4-methoxyphenyl)propanamide IUPAC Name: (2S)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-methoxyphenyl)propanamide Traditional Name: (2S)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-methoxyphenyl)propionamide Formula: C20H25ClN3O4S+ MolecularWeight: 438.9482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3Cl

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)OC)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H24ClN3O4S/c1-15(20(25)22-16-7-9-17(28-2)10-8-16)23-11-13-24(14-12-23)29(26,27)19-6-4-3-5-18(19)21/h3-10,15H,11-14H2,1-2H3,(H,22,25)/p+1/t15-/m0/s1