[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-methyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: (1-allophanoyl-2-methyl-propyl) 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C19H27N3O6S MolecularWeight: 425.49918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O6S/c1-12(2)16(17(23)21-19(20)25)28-18(24)15-11-14(8-7-13(15)3)29(26,27)22-9-5-4-6-10-22/h7-8,11-12,16H,4-6,9-10H2,1-3H3,(H3,20,21,23,25)