[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 3-[4-(phenylmethyl)piperidin-1-yl]sulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 3-[4-(phenylmethyl)piperidin-1-yl]sulfonylbenzoate Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl] 3-[(4-benzyl-1-piperidyl)sulfonyl]benzoate CAS Name: 3-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]benzoic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 3-(4-benzylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-benzylpiperidino)sulfonylbenzoic acid [2-(allylcarbamoylamino)-2-keto-ethyl] ester Formula: C25H29N3O6S MolecularWeight: 499.57926

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

C=CCNC(=O)NC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C25H29N3O6S/c1-2-13-26-25(31)27-23(29)18-34-24(30)21-9-6-10-22(17-21)35(32,33)28-14-11-20(12-15-28)16-19-7-4-3-5-8-19/h2-10,17,20H,1,11-16,18H2,(H2,26,27,29,31)