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

Systemtic Name: [(2S)-1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-[(3R)-3-methylpiperidin-1-yl]sulfonyl-benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-ureido-ethyl] 4-chloro-3-[[(3R)-3-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-chloro-3-[[(3R)-3-methyl-1-piperidinyl]sulfonyl]benzoic acid [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-chloro-3-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-chloro-3-[(3R)-3-methylpiperidino]sulfonyl-benzoic acid [(1S)-2-keto-1-methyl-2-ureido-ethyl] ester Formula: C17H22ClN3O6S MolecularWeight: 431.89108

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC(C)C(=O)NC(=O)N)Cl

Isomeric SMILES

C[C@@H]1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O[C@@H](C)C(=O)NC(=O)N)Cl

InChI

InChI=1S/C17H22ClN3O6S/c1-10-4-3-7-21(9-10)28(25,26)14-8-12(5-6-13(14)18)16(23)27-11(2)15(22)20-17(19)24/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H3,19,20,22,24)/t10-,11+/m1/s1