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

Systemtic Name: methyl 3-(2-azanyl-3-propan-2-ylsulfonyl-benzimidazol-5-yl)-3-oxidanyl-3-phenyl-propanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5S/c1-13(2)29(26,27)23-17-11-15(9-10-16(17)22-19(23)21)20(25,12-18(24)28-3)14-7-5-4-6-8-14/h4-11,13,25H,12H2,1-3H3,(H2,21,22)