2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-propan-2-ylphenyl)ethanamide

Systemtic Name: 2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-propan-2-ylphenyl)ethanamide Openeye Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(4-isopropylphenyl)acetamide CAS Name: 2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]-N-(4-propan-2-ylphenyl)acetamide IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(4-propan-2-ylphenyl)acetamide Traditional Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-p-cumenyl-acetamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O3S/c1-18(2)20-8-10-21(11-9-20)23-22(26)16-24-12-14-25(15-13-24)29(27,28)17-19-6-4-3-5-7-19/h3-11,18H,12-17H2,1-2H3,(H,23,26)/p+1