[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-(4-piperidin-1-ylsulfonylphenyl)ethanoate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-(4-piperidin-1-ylsulfonylphenyl)ethanoate Openeye Name: (1-allophanoyl-2-methyl-propyl) 2-[4-(1-piperidylsulfonyl)phenyl]acetate CAS Name: 2-[4-(1-piperidinylsulfonyl)phenyl]acetic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate Traditional Name: 2-(4-piperidinosulfonylphenyl)acetic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C19H27N3O6S MolecularWeight: 425.49918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)OC(=O)CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C19H27N3O6S/c1-13(2)17(18(24)21-19(20)25)28-16(23)12-14-6-8-15(9-7-14)29(26,27)22-10-4-3-5-11-22/h6-9,13,17H,3-5,10-12H2,1-2H3,(H3,20,21,24,25)