tert-butyl 3-[3-methoxy-4-[4-[[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylcarbamoyl]phenyl]phenyl]propanoate

Systemtic Name: tert-butyl 3-[3-methoxy-4-[4-[[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylcarbamoyl]phenyl]phenyl]propanoate Openeye Name: tert-butyl 3-[3-methoxy-4-[4-[[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylcarbamoyl]phenyl]phenyl]propanoate CAS Name: 3-[3-methoxy-4-[4-[[[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylamino]-oxomethyl]phenyl]phenyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-methoxy-4-[4-[[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylcarbamoyl]phenyl]phenyl]propanoate Traditional Name: 3-[3-methoxy-4-[4-[[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylcarbamoyl]phenyl]phenyl]propionic acid tert-butyl ester Formula: C35H37N3O8S2 MolecularWeight: 691.81358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC1=CC(=C(C=C1)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCCSC4=CC=CC=C4)[N+](=O)[O-])OC

Isomeric SMILES

CC(C)(C)OC(=O)CCC1=CC(=C(C=C1)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCCSC4=CC=CC=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C35H37N3O8S2/c1-35(2,3)46-33(39)19-11-24-10-17-29(32(22-24)45-4)25-12-14-26(15-13-25)34(40)37-48(43,44)28-16-18-30(31(23-28)38(41)42)36-20-21-47-27-8-6-5-7-9-27/h5-10,12-18,22-23,36H,11,19-21H2,1-4H3,(H,37,40)