tert-butyl 4-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-(4-quinolin-8-ylsulfonyloxyphenyl)propanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-(4-quinolin-8-ylsulfonyloxyphenyl)propanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(2S)-2-(p-tolylsulfonylamino)-3-[4-(8-quinolylsulfonyloxy)phenyl]propanoyl]piperazine-1-carboxylate CAS Name: 4-[(2S)-2-[(4-methylphenyl)sulfonylamino]-1-oxo-3-[4-(8-quinolinylsulfonyloxy)phenyl]propyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-(4-quinolin-8-ylsulfonyloxyphenyl)propanoyl]piperazine-1-carboxylate Traditional Name: 4-[(2S)-3-[4-(8-quinolylsulfonyloxy)phenyl]-2-(tosylamino)propanoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C34H38N4O8S2 MolecularWeight: 694.81752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC4=C3N=CC=C4)C(=O)N5CCN(CC5)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC4=C3N=CC=C4)C(=O)N5CCN(CC5)C(=O)OC(C)(C)C

InChI

InChI=1S/C34H38N4O8S2/c1-24-10-16-28(17-11-24)47(41,42)36-29(32(39)37-19-21-38(22-20-37)33(40)45-34(2,3)4)23-25-12-14-27(15-13-25)46-48(43,44)30-9-5-7-26-8-6-18-35-31(26)30/h5-18,29,36H,19-23H2,1-4H3/t29-/m0/s1