2,2-dimethyl-3-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-propanoate

Systemtic Name: 2,2-dimethyl-3-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-propanoate Openeye Name: 3-(4-benzylpiperazin-1-yl)sulfonyl-2,2-dimethyl-propanoate CAS Name: 2,2-dimethyl-3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]propanoate IUPAC Name: 3-(4-benzylpiperazin-1-yl)sulfonyl-2,2-dimethylpropanoate Traditional Name: 3-(4-benzylpiperazino)sulfonyl-2,2-dimethyl-propionate Formula: C16H23N2O4S- MolecularWeight: 339.42982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CS(=O)(=O)N1CCN(CC1)CC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CC(C)(CS(=O)(=O)N1CCN(CC1)CC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C16H24N2O4S/c1-16(2,15(19)20)13-23(21,22)18-10-8-17(9-11-18)12-14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3,(H,19,20)/p-1