[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-[(3,4-dimethylphenyl)sulfonylamino]ethanoate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-[(3,4-dimethylphenyl)sulfonylamino]ethanoate Openeye Name: (1-allophanoyl-2-methyl-propyl) 2-[(3,4-dimethylphenyl)sulfonylamino]acetate CAS Name: 2-[(3,4-dimethylphenyl)sulfonylamino]acetic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate Traditional Name: 2-[(3,4-dimethylphenyl)sulfonylamino]acetic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C16H23N3O6S MolecularWeight: 385.43532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OC(C(C)C)C(=O)NC(=O)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OC(C(C)C)C(=O)NC(=O)N)C

InChI

InChI=1S/C16H23N3O6S/c1-9(2)14(15(21)19-16(17)22)25-13(20)8-18-26(23,24)12-6-5-10(3)11(4)7-12/h5-7,9,14,18H,8H2,1-4H3,(H3,17,19,21,22)