tert-butyl 4-(4-chloranyl-2,5-dimethyl-phenyl)sulfonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(4-chloranyl-2,5-dimethyl-phenyl)sulfonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-(4-chloro-2,5-dimethyl-phenyl)sulfonylpiperazine-1-carboxylate CAS Name: 4-(4-chloro-2,5-dimethylphenyl)sulfonyl-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-chloro-2,5-dimethylphenyl)sulfonylpiperazine-1-carboxylate Traditional Name: 4-(4-chloro-2,5-dimethyl-phenyl)sulfonylpiperazine-1-carboxylic acid tert-butyl ester Formula: C17H25ClN2O4S MolecularWeight: 388.9094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)N2CCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)N2CCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C17H25ClN2O4S/c1-12-11-15(13(2)10-14(12)18)25(22,23)20-8-6-19(7-9-20)16(21)24-17(3,4)5/h10-11H,6-9H2,1-5H3