sodium [(2R)-1-(4-methoxyphenyl)sulfonyl-4-methylsulfonyl-piperazin-2-yl] carbamate

Systemtic Name: sodium [(2R)-1-(4-methoxyphenyl)sulfonyl-4-methylsulfonyl-piperazin-2-yl] carbamate Openeye Name: sodium [(2R)-1-(4-methoxyphenyl)sulfonyl-4-methylsulfonyl-piperazin-2-yl] carbamate CAS Name: sodium carbamic acid [(2R)-1-(4-methoxyphenyl)sulfonyl-4-methylsulfonyl-2-piperazinyl] ester IUPAC Name: sodium [(2R)-1-(4-methoxyphenyl)sulfonyl-4-methylsulfonylpiperazin-2-yl] carbamate Traditional Name: sodium carbamic acid [(2R)-4-mesyl-1-(4-methoxyphenyl)sulfonyl-piperazin-2-yl] ester Formula: C13H19N3NaO7S2+ MolecularWeight: 416.42563

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2OC(=O)N)S(=O)(=O)C.[Na+]

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(C[C@H]2OC(=O)N)S(=O)(=O)C.[Na+]

InChI

InChI=1S/C13H19N3O7S2.Na/c1-22-10-3-5-11(6-4-10)25(20,21)16-8-7-15(24(2,18)19)9-12(16)23-13(14)17;/h3-6,12H,7-9H2,1-2H3,(H2,14,17);/q;+1/t12-;/m1./s1