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

Systemtic Name: [1-oxidanylidene-1-(phenylcarbamoylamino)propan-2-yl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [1-methyl-2-oxo-2-(phenylcarbamoylamino)ethyl] 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [1-[[anilino(oxo)methyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [2-keto-1-methyl-2-(phenylcarbamoylamino)ethyl] ester Formula: C23H27N3O6S MolecularWeight: 473.54198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC(=O)NC2=CC=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC(=O)NC2=CC=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C23H27N3O6S/c1-16-11-12-18(15-20(16)33(30,31)26-13-7-4-8-14-26)22(28)32-17(2)21(27)25-23(29)24-19-9-5-3-6-10-19/h3,5-6,9-12,15,17H,4,7-8,13-14H2,1-2H3,(H2,24,25,27,29)