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

Systemtic Name: ethyl 3-(2-azanyl-3-propan-2-ylsulfonyl-benzimidazol-5-yl)-3-oxidanyl-3-phenyl-propanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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