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

Systemtic Name: methyl (2R)-4-(4-dimethylaminophenyl)carbonyl-1-(phenylsulfonyl)piperazine-2-carboxylate Openeye Name: methyl (2R)-1-(benzenesulfonyl)-4-[4-(dimethylamino)benzoyl]piperazine-2-carboxylate CAS Name: (2R)-1-(benzenesulfonyl)-4-[(4-dimethylaminophenyl)-oxomethyl]-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-1-(benzenesulfonyl)-4-[4-(dimethylamino)benzoyl]piperazine-2-carboxylate Traditional Name: (2R)-1-besyl-4-[4-(dimethylamino)benzoyl]piperazine-2-carboxylic acid methyl ester Formula: C21H25N3O5S MolecularWeight: 431.5053

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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)C3=CC=CC=C3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=O)N2CCN([C@H](C2)C(=O)OC)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O5S/c1-22(2)17-11-9-16(10-12-17)20(25)23-13-14-24(19(15-23)21(26)29-3)30(27,28)18-7-5-4-6-8-18/h4-12,19H,13-15H2,1-3H3/t19-/m1/s1