tert-butyl 4-[2-(4-chlorophenyl)ethynylsulfonyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(4-chlorophenyl)ethynylsulfonyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(4-chlorophenyl)ethynylsulfonyl]piperazine-1-carboxylate CAS Name: 4-[2-(4-chlorophenyl)ethynylsulfonyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(4-chlorophenyl)ethynylsulfonyl]piperazine-1-carboxylate Traditional Name: 4-[2-(4-chlorophenyl)ethynylsulfonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C17H21ClN2O4S MolecularWeight: 384.87764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)C#CC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)C#CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H21ClN2O4S/c1-17(2,3)24-16(21)19-9-11-20(12-10-19)25(22,23)13-8-14-4-6-15(18)7-5-14/h4-7H,9-12H2,1-3H3