[2-[(3-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate

Systemtic Name: [2-[(3-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate Openeye Name: [2-(3-morpholinosulfonylanilino)-2-oxo-1-phenyl-ethyl] 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate CAS Name: 2-chloro-5-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid [2-[3-(4-morpholinylsulfonyl)anilino]-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3-morpholin-4-ylsulfonylanilino)-2-oxo-1-phenylethyl] 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 2-chloro-5-(4-phenylpiperazino)sulfonyl-benzoic acid [2-keto-2-(3-morpholinosulfonylanilino)-1-phenyl-ethyl] ester Formula: C35H35ClN4O8S2 MolecularWeight: 739.2574

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)OC(C4=CC=CC=C4)C(=O)NC5=CC(=CC=C5)S(=O)(=O)N6CCOCC6

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)OC(C4=CC=CC=C4)C(=O)NC5=CC(=CC=C5)S(=O)(=O)N6CCOCC6

InChI

InChI=1S/C35H35ClN4O8S2/c36-32-15-14-30(50(45,46)39-18-16-38(17-19-39)28-11-5-2-6-12-28)25-31(32)35(42)48-33(26-8-3-1-4-9-26)34(41)37-27-10-7-13-29(24-27)49(43,44)40-20-22-47-23-21-40/h1-15,24-25,33H,16-23H2,(H,37,41)