tert-butyl 4-[[2-[(5-chloranylpyridin-2-yl)carbamoyl]-4-methylsulfonyl-phenyl]carbamoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[2-[(5-chloranylpyridin-2-yl)carbamoyl]-4-methylsulfonyl-phenyl]carbamoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[2-[(5-chloro-2-pyridyl)carbamoyl]-4-methylsulfonyl-phenyl]carbamoyl]piperazine-1-carboxylate CAS Name: 4-[[2-[[(5-chloro-2-pyridinyl)amino]-oxomethyl]-4-methylsulfonylanilino]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[2-[(5-chloropyridin-2-yl)carbamoyl]-4-methylsulfonylphenyl]carbamoyl]piperazine-1-carboxylate Traditional Name: 4-[[2-[(5-chloro-2-pyridyl)carbamoyl]-4-mesyl-phenyl]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)NC2=C(C=C(C=C2)S(=O)(=O)C)C(=O)NC3=NC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)NC2=C(C=C(C=C2)S(=O)(=O)C)C(=O)NC3=NC=C(C=C3)Cl

InChI

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