phenyl 2-[4-(dimethylcarbamoyl)piperazin-1-yl]ethanesulfonate

Systemtic Name: phenyl 2-[4-(dimethylcarbamoyl)piperazin-1-yl]ethanesulfonate Openeye Name: phenyl 2-[4-(dimethylcarbamoyl)piperazin-1-yl]ethanesulfonate CAS Name: 2-[4-[dimethylamino(oxo)methyl]-1-piperazinyl]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[4-(dimethylcarbamoyl)piperazin-1-yl]ethanesulfonate Traditional Name: 2-[4-(dimethylcarbamoyl)piperazino]ethanesulfonic acid phenyl ester Formula: C15H23N3O4S MolecularWeight: 341.42582

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)N1CCN(CC1)CCS(=O)(=O)OC2=CC=CC=C2

Isomeric SMILES

CN(C)C(=O)N1CCN(CC1)CCS(=O)(=O)OC2=CC=CC=C2

InChI

InChI=1S/C15H23N3O4S/c1-16(2)15(19)18-10-8-17(9-11-18)12-13-23(20,21)22-14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3