tert-butyl 3-[(4-bromophenyl)methyl-(4-methoxyphenyl)sulfonyl-amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[(4-bromophenyl)methyl-(4-methoxyphenyl)sulfonyl-amino]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[(4-bromophenyl)methyl-(4-methoxyphenyl)sulfonyl-amino]piperidine-1-carboxylate CAS Name: 3-[(4-bromophenyl)methyl-(4-methoxyphenyl)sulfonylamino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(4-bromophenyl)methyl-(4-methoxyphenyl)sulfonylamino]piperidine-1-carboxylate Traditional Name: 3-[(4-bromobenzyl)-(4-methoxyphenyl)sulfonyl-amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C24H31BrN2O5S MolecularWeight: 539.48234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31BrN2O5S/c1-24(2,3)32-23(28)26-15-5-6-20(17-26)27(16-18-7-9-19(25)10-8-18)33(29,30)22-13-11-21(31-4)12-14-22/h7-14,20H,5-6,15-17H2,1-4H3