tert-butyl 3-[(5-bromanyl-6-chloranyl-pyridin-3-yl)sulfonyl-[(4-methoxycarbonylphenyl)methyl]amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[(5-bromanyl-6-chloranyl-pyridin-3-yl)sulfonyl-[(4-methoxycarbonylphenyl)methyl]amino]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[(5-bromo-6-chloro-3-pyridyl)sulfonyl-[(4-methoxycarbonylphenyl)methyl]amino]piperidine-1-carboxylate CAS Name: 3-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl-[(4-methoxycarbonylphenyl)methyl]amino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(5-bromo-6-chloropyridin-3-yl)sulfonyl-[(4-methoxycarbonylphenyl)methyl]amino]piperidine-1-carboxylate Traditional Name: 3-[(5-bromo-6-chloro-3-pyridyl)sulfonyl-(4-carbomethoxybenzyl)amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C24H29BrClN3O6S MolecularWeight: 602.92556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)N(CC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)C3=CC(=C(N=C3)Cl)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)N(CC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)C3=CC(=C(N=C3)Cl)Br

InChI

InChI=1S/C24H29BrClN3O6S/c1-24(2,3)35-23(31)28-11-5-6-18(15-28)29(14-16-7-9-17(10-8-16)22(30)34-4)36(32,33)19-12-20(25)21(26)27-13-19/h7-10,12-13,18H,5-6,11,14-15H2,1-4H3