N-[2,6-di(propan-2-yl)phenyl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[2,6-di(propan-2-yl)phenyl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(2,6-diisopropylphenyl)acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-[2,6-di(propan-2-yl)phenyl]acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-N-(2,6-diisopropylphenyl)acetamide Formula: C24H34N3O3S+ MolecularWeight: 444.61006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N3O3S/c1-18(2)21-11-8-12-22(19(3)4)24(21)25-23(28)17-26-13-15-27(16-14-26)31(29,30)20-9-6-5-7-10-20/h5-12,18-19H,13-17H2,1-4H3,(H,25,28)/p+1