(2S)-N-[(1R)-1-phenylbutyl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-[(1R)-1-phenylbutyl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]propanamide CAS Name: (2S)-2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-[(1R)-1-phenylbutyl]propanamide IUPAC Name: (2S)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]propanamide Traditional Name: (2S)-2-(4-besylpiperazin-1-ium-1-yl)-N-[(1R)-1-phenylbutyl]propionamide Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)C(C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCC[C@H](C1=CC=CC=C1)NC(=O)[C@H](C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H31N3O3S/c1-3-10-22(20-11-6-4-7-12-20)24-23(27)19(2)25-15-17-26(18-16-25)30(28,29)21-13-8-5-9-14-21/h4-9,11-14,19,22H,3,10,15-18H2,1-2H3,(H,24,27)/p+1/t19-,22+/m0/s1