(2S)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-di(propan-2-yl)propanamide

Systemtic Name: (2S)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-di(propan-2-yl)propanamide Openeye Name: (2S)-N,N-diisopropyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2S)-2-[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-N,N-di(propan-2-yl)propanamide IUPAC Name: (2S)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-di(propan-2-yl)propanamide Traditional Name: (2S)-N,N-diisopropyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C20H34N3O4S+ MolecularWeight: 412.56666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)C(C)[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H33N3O4S/c1-15(2)23(16(3)4)20(24)17(5)21-11-13-22(14-12-21)28(25,26)19-9-7-18(27-6)8-10-19/h7-10,15-17H,11-14H2,1-6H3/p+1/t17-/m0/s1