methyl 2-[3-(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)propanoylamino]-2-methyl-propanoate

Systemtic Name: methyl 2-[3-(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)propanoylamino]-2-methyl-propanoate Openeye Name: methyl 2-[3-(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)propanoylamino]-2-methyl-propanoate CAS Name: 2-[[3-[1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]-1-oxopropyl]amino]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanoylamino]-2-methylpropanoate Traditional Name: 2-[3-(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)propanoylamino]-2-methyl-propionic acid methyl ester Formula: C21H30N4O6S MolecularWeight: 466.5511

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CCC(=O)NC(C)(C)C(=O)OC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CCC(=O)NC(C)(C)C(=O)OC

InChI

InChI=1S/C21H30N4O6S/c1-5-25-17-7-6-15(32(28,29)24-10-12-31-13-11-24)14-16(17)22-18(25)8-9-19(26)23-21(2,3)20(27)30-4/h6-7,14H,5,8-13H2,1-4H3,(H,23,26)