ethyl 2-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: ethyl 2-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: ethyl 3-benzylsulfanyl-2-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]propanoate CAS Name: 2-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]-3-(phenylmethylthio)propanoic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-2-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]propanoate Traditional Name: 3-(benzylthio)-2-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]propionic acid ethyl ester Formula: C25H25N3O4S2 MolecularWeight: 495.6137

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCC1=CC=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C(CSCC1=CC=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=CC=C4

InChI

InChI=1S/C25H25N3O4S2/c1-2-32-25(29)23(17-33-16-18-9-5-3-6-10-18)28-34(30,31)20-13-14-21-22(15-20)27-24(26-21)19-11-7-4-8-12-19/h3-15,23,28H,2,16-17H2,1H3,(H,26,27)