tert-butyl 3-(2-azanyl-3-propan-2-ylsulfonyl-benzimidazol-5-yl)-3-oxidanyl-3-phenyl-propanoate

Systemtic Name: tert-butyl 3-(2-azanyl-3-propan-2-ylsulfonyl-benzimidazol-5-yl)-3-oxidanyl-3-phenyl-propanoate Openeye Name: tert-butyl 3-(2-amino-3-isopropylsulfonyl-benzimidazol-5-yl)-3-hydroxy-3-phenyl-propanoate CAS Name: 3-(2-amino-3-propan-2-ylsulfonyl-5-benzimidazolyl)-3-hydroxy-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-3-hydroxy-3-phenylpropanoate Traditional Name: 3-(2-amino-3-isopropylsulfonyl-benzimidazol-5-yl)-3-hydroxy-3-phenyl-propionic acid tert-butyl ester Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N1C2=C(C=CC(=C2)C(CC(=O)OC(C)(C)C)(C3=CC=CC=C3)O)N=C1N

Isomeric SMILES

CC(C)S(=O)(=O)N1C2=C(C=CC(=C2)C(CC(=O)OC(C)(C)C)(C3=CC=CC=C3)O)N=C1N

InChI

InChI=1S/C23H29N3O5S/c1-15(2)32(29,30)26-19-13-17(11-12-18(19)25-21(26)24)23(28,16-9-7-6-8-10-16)14-20(27)31-22(3,4)5/h6-13,15,28H,14H2,1-5H3,(H2,24,25)