3,5-dimethyl-4-(phenylsulfonyl)piperazine-1-carboxylate

Systemtic Name: 3,5-dimethyl-4-(phenylsulfonyl)piperazine-1-carboxylate Openeye Name: 4-(benzenesulfonyl)-3,5-dimethyl-piperazine-1-carboxylate CAS Name: 4-(benzenesulfonyl)-3,5-dimethyl-1-piperazinecarboxylate IUPAC Name: 4-(benzenesulfonyl)-3,5-dimethylpiperazine-1-carboxylate Traditional Name: 4-besyl-3,5-dimethyl-piperazine-1-carboxylate Formula: C13H17N2O4S- MolecularWeight: 297.35008

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1S(=O)(=O)C2=CC=CC=C2)C)C(=O)[O-]

Isomeric SMILES

CC1CN(CC(N1S(=O)(=O)C2=CC=CC=C2)C)C(=O)[O-]

InChI

InChI=1S/C13H18N2O4S/c1-10-8-14(13(16)17)9-11(2)15(10)20(18,19)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,16,17)/p-1