[(2S)-1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 4-bromanyl-3-(4-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: [(2S)-1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 4-bromanyl-3-(4-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-ureido-ethyl] 4-bromo-3-[(4-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-bromo-3-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-bromo-3-(4-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-bromo-3-(4-methylpiperidino)sulfonyl-benzoic acid [(1S)-2-keto-1-methyl-2-ureido-ethyl] ester Formula: C17H22BrN3O6S MolecularWeight: 476.34208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O[C@@H](C)C(=O)NC(=O)N)Br

InChI

InChI=1S/C17H22BrN3O6S/c1-10-5-7-21(8-6-10)28(25,26)14-9-12(3-4-13(14)18)16(23)27-11(2)15(22)20-17(19)24/h3-4,9-11H,5-8H2,1-2H3,(H3,19,20,22,24)/t11-/m0/s1