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

Systemtic Name: propan-2-yl 3-(2-azanyl-3-propan-2-ylsulfonyl-benzimidazol-5-yl)-3-oxidanyl-3-phenyl-propanoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=CC=C1)(C2=CC3=C(C=C2)N=C(N3S(=O)(=O)C(C)C)N)O

Isomeric SMILES

CC(C)OC(=O)CC(C1=CC=CC=C1)(C2=CC3=C(C=C2)N=C(N3S(=O)(=O)C(C)C)N)O

InChI

InChI=1S/C22H27N3O5S/c1-14(2)30-20(26)13-22(27,16-8-6-5-7-9-16)17-10-11-18-19(12-17)25(21(23)24-18)31(28,29)15(3)4/h5-12,14-15,27H,13H2,1-4H3,(H2,23,24)