[2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(benzylcarbamoylamino)-2-oxo-ethyl] 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [2-oxo-2-[[oxo-[(phenylmethyl)amino]methyl]amino]ethyl] ester IUPAC Name: [2-(benzylcarbamoylamino)-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [2-(benzylcarbamoylamino)-2-keto-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)OCC(=O)NC(=O)NCC2=CC=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NCC2=CC=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C23H27N3O6S/c1-17-10-11-19(14-20(17)33(30,31)26-12-6-3-7-13-26)22(28)32-16-21(27)25-23(29)24-15-18-8-4-2-5-9-18/h2,4-5,8-11,14H,3,6-7,12-13,15-16H2,1H3,(H2,24,25,27,29)