tert-butyl 4-[3-[(2,5-dimethylphenyl)sulfonylamino]propanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[(2,5-dimethylphenyl)sulfonylamino]propanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-[(2,5-dimethylphenyl)sulfonylamino]propanoyl]piperazine-1-carboxylate CAS Name: 4-[3-[(2,5-dimethylphenyl)sulfonylamino]-1-oxopropyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[(2,5-dimethylphenyl)sulfonylamino]propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-[(2,5-dimethylphenyl)sulfonylamino]propanoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H31N3O5S MolecularWeight: 425.54224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NCCC(=O)N2CCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NCCC(=O)N2CCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H31N3O5S/c1-15-6-7-16(2)17(14-15)29(26,27)21-9-8-18(24)22-10-12-23(13-11-22)19(25)28-20(3,4)5/h6-7,14,21H,8-13H2,1-5H3