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

Systemtic Name: (2S)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-di(propan-2-yl)propanamide Openeye Name: (2S)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-diisopropyl-propanamide CAS Name: (2S)-2-[4-(2-cyanophenyl)sulfonyl-1-piperazin-1-iumyl]-N,N-di(propan-2-yl)propanamide IUPAC Name: (2S)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-di(propan-2-yl)propanamide Traditional Name: (2S)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-diisopropyl-propionamide Formula: C20H31N4O3S+ MolecularWeight: 407.55014

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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=CC=C2C#N

Isomeric SMILES

C[C@@H](C(=O)N(C(C)C)C(C)C)[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N

InChI

InChI=1S/C20H30N4O3S/c1-15(2)24(16(3)4)20(25)17(5)22-10-12-23(13-11-22)28(26,27)19-9-7-6-8-18(19)14-21/h6-9,15-17H,10-13H2,1-5H3/p+1/t17-/m0/s1