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

Systemtic Name: (2S)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylpropyl)propanamide Openeye Name: (2S)-N-isobutyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2S)-2-[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2-methylpropyl)propanamide IUPAC Name: (2S)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylpropyl)propanamide Traditional Name: (2S)-N-isobutyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C18H30N3O4S+ MolecularWeight: 384.5135

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O4S/c1-14(2)13-19-18(22)15(3)20-9-11-21(12-10-20)26(23,24)17-7-5-16(25-4)6-8-17/h5-8,14-15H,9-13H2,1-4H3,(H,19,22)/p+1/t15-/m0/s1