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

Systemtic Name: (2S)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-propyl-propanamide Openeye Name: (2S)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-propyl-propanamide CAS Name: (2S)-2-[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-N-propylpropanamide IUPAC Name: (2S)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-propylpropanamide Traditional Name: (2S)-2-(4-p-phenetylsulfonylpiperazin-1-ium-1-yl)-N-propyl-propionamide Formula: C18H30N3O4S+ MolecularWeight: 384.5135

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OCC

Isomeric SMILES

CCCNC(=O)[C@H](C)[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OCC

InChI

InChI=1S/C18H29N3O4S/c1-4-10-19-18(22)15(3)20-11-13-21(14-12-20)26(23,24)17-8-6-16(7-9-17)25-5-2/h6-9,15H,4-5,10-14H2,1-3H3,(H,19,22)/p+1/t15-/m0/s1