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

Systemtic Name: tert-butyl 3-[[(4-bromophenyl)sulfonyl-phenyl-amino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[(N-(4-bromophenyl)sulfonylanilino)methyl]piperidine-1-carboxylate CAS Name: 3-[(N-(4-bromophenyl)sulfonylanilino)methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(N-(4-bromophenyl)sulfonylanilino)methyl]piperidine-1-carboxylate Traditional Name: 3-[(N-brosylanilino)methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H29BrN2O4S MolecularWeight: 509.45636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29BrN2O4S/c1-23(2,3)30-22(27)25-15-7-8-18(16-25)17-26(20-9-5-4-6-10-20)31(28,29)21-13-11-19(24)12-14-21/h4-6,9-14,18H,7-8,15-17H2,1-3H3