tert-butyl 4-[[(2-acetyloxy-5-chloranyl-phenyl)-(2-bromophenyl)sulfonyl-amino]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[(2-acetyloxy-5-chloranyl-phenyl)-(2-bromophenyl)sulfonyl-amino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(2-acetoxy-N-(2-bromophenyl)sulfonyl-5-chloro-anilino)methyl]piperidine-1-carboxylate CAS Name: 4-[(2-acetyloxy-N-(2-bromophenyl)sulfonyl-5-chloroanilino)methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2-acetyloxy-N-(2-bromophenyl)sulfonyl-5-chloroanilino)methyl]piperidine-1-carboxylate Traditional Name: 4-[(2-acetoxy-N-(2-bromophenyl)sulfonyl-5-chloro-anilino)methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H30BrClN2O6S MolecularWeight: 601.9375

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)Cl)N(CC2CCN(CC2)C(=O)OC(C)(C)C)S(=O)(=O)C3=CC=CC=C3Br

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)Cl)N(CC2CCN(CC2)C(=O)OC(C)(C)C)S(=O)(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C25H30BrClN2O6S/c1-17(30)34-22-10-9-19(27)15-21(22)29(36(32,33)23-8-6-5-7-20(23)26)16-18-11-13-28(14-12-18)24(31)35-25(2,3)4/h5-10,15,18H,11-14,16H2,1-4H3