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

Systemtic Name: (2S)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-ethoxyphenyl)propanamide Openeye Name: (2S)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-ethoxyphenyl)propanamide CAS Name: (2S)-2-[4-(2-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(4-ethoxyphenyl)propanamide IUPAC Name: (2S)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-ethoxyphenyl)propanamide Traditional Name: (2S)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-p-phenetyl-propionamide Formula: C21H27ClN3O4S+ MolecularWeight: 452.97478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)[C@H](C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H26ClN3O4S/c1-3-29-18-10-8-17(9-11-18)23-21(26)16(2)24-12-14-25(15-13-24)30(27,28)20-7-5-4-6-19(20)22/h4-11,16H,3,12-15H2,1-2H3,(H,23,26)/p+1/t16-/m0/s1