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

Systemtic Name: ethyl 3-(2-azanyl-3-propan-2-ylsulfonyl-benzimidazol-5-yl)-3-oxidanyl-2-phenyl-propanoate Openeye Name: ethyl 3-(2-amino-3-isopropylsulfonyl-benzimidazol-5-yl)-3-hydroxy-2-phenyl-propanoate CAS Name: 3-(2-amino-3-propan-2-ylsulfonyl-5-benzimidazolyl)-3-hydroxy-2-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 3-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-3-hydroxy-2-phenylpropanoate Traditional Name: 3-(2-amino-3-isopropylsulfonyl-benzimidazol-5-yl)-3-hydroxy-2-phenyl-propionic acid ethyl ester Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5S/c1-4-29-20(26)18(14-8-6-5-7-9-14)19(25)15-10-11-16-17(12-15)24(21(22)23-16)30(27,28)13(2)3/h5-13,18-19,25H,4H2,1-3H3,(H2,22,23)