[(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] 4-[(4-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(4-methylpiperidino)sulfonylbenzoic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C19H27N3O6S MolecularWeight: 425.49918

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC(C(C)C)C(=O)NC(=O)N

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)O[C@H](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)14-4-6-15(7-5-14)29(26,27)22-10-8-13(3)9-11-22/h4-7,12-13,16H,8-11H2,1-3H3,(H3,20,21,23,25)/t16-/m1/s1