tert-butyl 4-[4-[(1-methylimidazol-4-yl)sulfonyl-(phenylmethyl)amino]phenyl]carbonyl-2-phenyl-piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[(1-methylimidazol-4-yl)sulfonyl-(phenylmethyl)amino]phenyl]carbonyl-2-phenyl-piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[benzyl-(1-methylimidazol-4-yl)sulfonyl-amino]benzoyl]-2-phenyl-piperazine-1-carboxylate CAS Name: 4-[[4-[(1-methyl-4-imidazolyl)sulfonyl-(phenylmethyl)amino]phenyl]-oxomethyl]-2-phenyl-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[benzyl-(1-methylimidazol-4-yl)sulfonylamino]benzoyl]-2-phenylpiperazine-1-carboxylate Traditional Name: 4-[4-[benzyl-(1-methylimidazol-4-yl)sulfonyl-amino]benzoyl]-2-phenyl-piperazine-1-carboxylic acid tert-butyl ester Formula: C33H37N5O5S MolecularWeight: 615.74238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)N(CC4=CC=CC=C4)S(=O)(=O)C5=CN(C=N5)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)N(CC4=CC=CC=C4)S(=O)(=O)C5=CN(C=N5)C

InChI

InChI=1S/C33H37N5O5S/c1-33(2,3)43-32(40)37-20-19-36(22-29(37)26-13-9-6-10-14-26)31(39)27-15-17-28(18-16-27)38(21-25-11-7-5-8-12-25)44(41,42)30-23-35(4)24-34-30/h5-18,23-24,29H,19-22H2,1-4H3