[(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-piperidin-1-ylsulfonylbenzoate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] 2-(1-piperidylsulfonyl)benzoate CAS Name: 2-(1-piperidinylsulfonyl)benzoic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-piperidinosulfonylbenzoic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C18H25N3O6S MolecularWeight: 411.4726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=CC=CC=C1S(=O)(=O)N2CCCCC2

Isomeric SMILES

CC(C)[C@H](C(=O)NC(=O)N)OC(=O)C1=CC=CC=C1S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C18H25N3O6S/c1-12(2)15(16(22)20-18(19)24)27-17(23)13-8-4-5-9-14(13)28(25,26)21-10-6-3-7-11-21/h4-5,8-9,12,15H,3,6-7,10-11H2,1-2H3,(H3,19,20,22,24)/t15-/m1/s1