methyl (2R)-4-(4-dimethylaminophenyl)carbonyl-1-methylsulfonyl-piperazine-2-carboxylate

Systemtic Name: methyl (2R)-4-(4-dimethylaminophenyl)carbonyl-1-methylsulfonyl-piperazine-2-carboxylate Openeye Name: methyl (2R)-4-[4-(dimethylamino)benzoyl]-1-methylsulfonyl-piperazine-2-carboxylate CAS Name: (2R)-4-[(4-dimethylaminophenyl)-oxomethyl]-1-methylsulfonyl-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[4-(dimethylamino)benzoyl]-1-methylsulfonylpiperazine-2-carboxylate Traditional Name: (2R)-4-[4-(dimethylamino)benzoyl]-1-mesyl-piperazine-2-carboxylic acid methyl ester Formula: C16H23N3O5S MolecularWeight: 369.43592

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=O)N2CCN(C(C2)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=O)N2CCN([C@H](C2)C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C16H23N3O5S/c1-17(2)13-7-5-12(6-8-13)15(20)18-9-10-19(25(4,22)23)14(11-18)16(21)24-3/h5-8,14H,9-11H2,1-4H3/t14-/m1/s1