[1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (1-methyl-2-oxo-2-ureido-ethyl) 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [1-(carbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-1-oxopropan-2-yl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid (2-keto-1-methyl-2-ureido-ethyl) ester Formula: C17H23N3O6S MolecularWeight: 397.44602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC(=O)N)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC(=O)N)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C17H23N3O6S/c1-11-6-7-13(16(22)26-12(2)15(21)19-17(18)23)10-14(11)27(24,25)20-8-4-3-5-9-20/h6-7,10,12H,3-5,8-9H2,1-2H3,(H3,18,19,21,23)