tert-butyl 4-[[(5-chloranylpyridin-2-yl)-(3-methylsulfonylphenyl)carbonyl-amino]carbamoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[(5-chloranylpyridin-2-yl)-(3-methylsulfonylphenyl)carbonyl-amino]carbamoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[(5-chloro-2-pyridyl)-(3-methylsulfonylbenzoyl)amino]carbamoyl]piperazine-1-carboxylate CAS Name: 4-[[2-(5-chloro-2-pyridinyl)-2-[(3-methylsulfonylphenyl)-oxomethyl]hydrazinyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[(5-chloropyridin-2-yl)-(3-methylsulfonylbenzoyl)amino]carbamoyl]piperazine-1-carboxylate Traditional Name: 4-[[(5-chloro-2-pyridyl)-(3-mesylbenzoyl)amino]carbamoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H28ClN5O6S MolecularWeight: 538.01632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)NN(C2=NC=C(C=C2)Cl)C(=O)C3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)NN(C2=NC=C(C=C2)Cl)C(=O)C3=CC(=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C23H28ClN5O6S/c1-23(2,3)35-22(32)28-12-10-27(11-13-28)21(31)26-29(19-9-8-17(24)15-25-19)20(30)16-6-5-7-18(14-16)36(4,33)34/h5-9,14-15H,10-13H2,1-4H3,(H,26,31)