tert-butyl 4-[3-[1-(5-chloranyl-2,3-dimethoxy-phenyl)ethylamino]-4-methylsulfonyl-phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[1-(5-chloranyl-2,3-dimethoxy-phenyl)ethylamino]-4-methylsulfonyl-phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-[1-(5-chloro-2,3-dimethoxy-phenyl)ethylamino]-4-methylsulfonyl-phenyl]piperazine-1-carboxylate CAS Name: 4-[3-[1-(5-chloro-2,3-dimethoxyphenyl)ethylamino]-4-methylsulfonylphenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[1-(5-chloro-2,3-dimethoxyphenyl)ethylamino]-4-methylsulfonylphenyl]piperazine-1-carboxylate Traditional Name: 4-[3-[1-(5-chloro-2,3-dimethoxy-phenyl)ethylamino]-4-mesyl-phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C26H36ClN3O6S MolecularWeight: 554.09854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC(=C1OC)OC)Cl)NC2=C(C=CC(=C2)N3CCN(CC3)C(=O)OC(C)(C)C)S(=O)(=O)C

Isomeric SMILES

CC(C1=CC(=CC(=C1OC)OC)Cl)NC2=C(C=CC(=C2)N3CCN(CC3)C(=O)OC(C)(C)C)S(=O)(=O)C

InChI

InChI=1S/C26H36ClN3O6S/c1-17(20-14-18(27)15-22(34-5)24(20)35-6)28-21-16-19(8-9-23(21)37(7,32)33)29-10-12-30(13-11-29)25(31)36-26(2,3)4/h8-9,14-17,28H,10-13H2,1-7H3