tert-butyl 4-[3-[(2-bromophenyl)carbamoylamino]-6-chloranyl-2-oxidanyl-phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[(2-bromophenyl)carbamoylamino]-6-chloranyl-2-oxidanyl-phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-[(2-bromophenyl)carbamoylamino]-6-chloro-2-hydroxy-phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[3-[[(2-bromoanilino)-oxomethyl]amino]-6-chloro-2-hydroxyphenyl]sulfonyl-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[(2-bromophenyl)carbamoylamino]-6-chloro-2-hydroxyphenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[3-[(2-bromophenyl)carbamoylamino]-6-chloro-2-hydroxy-phenyl]sulfonylpiperazine-1-carboxylic acid tert-butyl ester Formula: C22H26BrClN4O6S MolecularWeight: 589.88704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2O)NC(=O)NC3=CC=CC=C3Br)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2O)NC(=O)NC3=CC=CC=C3Br)Cl

InChI

InChI=1S/C22H26BrClN4O6S/c1-22(2,3)34-21(31)27-10-12-28(13-11-27)35(32,33)19-15(24)8-9-17(18(19)29)26-20(30)25-16-7-5-4-6-14(16)23/h4-9,29H,10-13H2,1-3H3,(H2,25,26,30)