[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-chloranyl-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-benzoate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-chloranyl-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-benzoate Openeye Name: (1-allophanoyl-2-methyl-propyl) 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-benzoate CAS Name: 4-chloro-3-[(2,6-dimethyl-4-morpholinyl)sulfonyl]benzoic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate Traditional Name: 4-chloro-3-(2,6-dimethylmorpholino)sulfonyl-benzoic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C19H26ClN3O7S MolecularWeight: 475.94364

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC(C(C)C)C(=O)NC(=O)N)Cl

Isomeric SMILES

CC1CN(CC(O1)C)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC(C(C)C)C(=O)NC(=O)N)Cl

InChI

InChI=1S/C19H26ClN3O7S/c1-10(2)16(17(24)22-19(21)26)30-18(25)13-5-6-14(20)15(7-13)31(27,28)23-8-11(3)29-12(4)9-23/h5-7,10-12,16H,8-9H2,1-4H3,(H3,21,22,24,26)