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

Systemtic Name: (2S)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]-N-(4-propan-2-ylphenyl)propanamide Openeye Name: (2S)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(4-isopropylphenyl)propanamide CAS Name: (2S)-2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-(4-propan-2-ylphenyl)propanamide IUPAC Name: (2S)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(4-propan-2-ylphenyl)propanamide Traditional Name: (2S)-2-(4-besylpiperazin-1-ium-1-yl)-N-p-cumenyl-propionamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(C)C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H29N3O3S/c1-17(2)19-9-11-20(12-10-19)23-22(26)18(3)24-13-15-25(16-14-24)29(27,28)21-7-5-4-6-8-21/h4-12,17-18H,13-16H2,1-3H3,(H,23,26)/p+1/t18-/m0/s1