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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)OC(C(C)C)C(=O)NC(=O)N

Isomeric SMILES

C[C@H]1CCCCN1S(=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)14-7-9-15(10-8-14)29(26,27)22-11-5-4-6-13(22)3/h7-10,12-13,16H,4-6,11H2,1-3H3,(H3,20,21,23,25)/t13-,16-/m0/s1