tert-butyl 4-[[[3-[(2-bromophenyl)carbamoylamino]-6-chloranyl-2-oxidanyl-phenyl]sulfonylamino]methyl]-2-carboniodidoyl-piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[[3-[(2-bromophenyl)carbamoylamino]-6-chloranyl-2-oxidanyl-phenyl]sulfonylamino]methyl]-2-carboniodidoyl-piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[[3-[(2-bromophenyl)carbamoylamino]-6-chloro-2-hydroxy-phenyl]sulfonylamino]methyl]-2-iodocarbonyl-piperidine-1-carboxylate CAS Name: 4-[[[3-[[(2-bromoanilino)-oxomethyl]amino]-6-chloro-2-hydroxyphenyl]sulfonylamino]methyl]-2-carboniodidoyl-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[[3-[(2-bromophenyl)carbamoylamino]-6-chloro-2-hydroxyphenyl]sulfonylamino]methyl]-2-carboniodidoylpiperidine-1-carboxylate Traditional Name: 4-[[[3-[(2-bromophenyl)carbamoylamino]-6-chloro-2-hydroxy-phenyl]sulfonylamino]methyl]-2-iodocarbonyl-piperidine-1-carboxylic acid tert-butyl ester Formula: C25H29BrClIN4O7S MolecularWeight: 771.84683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1C(=O)I)CNS(=O)(=O)C2=C(C=CC(=C2O)NC(=O)NC3=CC=CC=C3Br)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1C(=O)I)CNS(=O)(=O)C2=C(C=CC(=C2O)NC(=O)NC3=CC=CC=C3Br)Cl

InChI

InChI=1S/C25H29BrClIN4O7S/c1-25(2,3)39-24(36)32-11-10-14(12-19(32)22(28)34)13-29-40(37,38)21-16(27)8-9-18(20(21)33)31-23(35)30-17-7-5-4-6-15(17)26/h4-9,14,19,29,33H,10-13H2,1-3H3,(H2,30,31,35)