methyl 2-[[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]sulfonylamino]-4-methyl-pentanoate

Systemtic Name: methyl 2-[[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]sulfonylamino]-4-methyl-pentanoate Openeye Name: methyl 2-[[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]sulfonylamino]-4-methyl-pentanoate CAS Name: 2-[[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]sulfonylamino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]sulfonylamino]-4-methylpentanoate Traditional Name: 2-[[2-(carbomethoxyamino)-3H-benzimidazol-5-yl]sulfonylamino]-4-methyl-valeric acid methyl ester Formula: C16H22N4O6S MolecularWeight: 398.43408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)NC(=O)OC

Isomeric SMILES

CC(C)CC(C(=O)OC)NS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)NC(=O)OC

InChI

InChI=1S/C16H22N4O6S/c1-9(2)7-13(14(21)25-3)20-27(23,24)10-5-6-11-12(8-10)18-15(17-11)19-16(22)26-4/h5-6,8-9,13,20H,7H2,1-4H3,(H2,17,18,19,22)