(2S)-N-(2-methyl-6-propan-2-yl-phenyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(2-methyl-6-propan-2-yl-phenyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(2-isopropyl-6-methyl-phenyl)propanamide CAS Name: (2S)-2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-(2-methyl-6-propan-2-ylphenyl)propanamide IUPAC Name: (2S)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)propanamide Traditional Name: (2S)-2-(4-besylpiperazin-1-ium-1-yl)-N-(2-isopropyl-6-methyl-phenyl)propionamide Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)C(C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)[C@H](C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H31N3O3S/c1-17(2)21-12-8-9-18(3)22(21)24-23(27)19(4)25-13-15-26(16-14-25)30(28,29)20-10-6-5-7-11-20/h5-12,17,19H,13-16H2,1-4H3,(H,24,27)/p+1/t19-/m0/s1