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

Systemtic Name: (2S)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-propan-2-yl-propanamide Openeye Name: (2S)-N-isopropyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2S)-2-[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-N-propan-2-ylpropanamide IUPAC Name: (2S)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-propan-2-ylpropanamide Traditional Name: (2S)-N-isopropyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C17H28N3O4S+ MolecularWeight: 370.48692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O4S/c1-13(2)18-17(21)14(3)19-9-11-20(12-10-19)25(22,23)16-7-5-15(24-4)6-8-16/h5-8,13-14H,9-12H2,1-4H3,(H,18,21)/p+1/t14-/m0/s1