[2-[(4-methoxyphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 2-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [2-[(4-methoxyphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 2-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-[(4-methoxyphenyl)carbamoylamino]-2-oxo-ethyl] 2-(1-piperidylsulfonyl)benzoate CAS Name: 2-(1-piperidinylsulfonyl)benzoic acid [2-[[(4-methoxyanilino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-piperidinosulfonylbenzoic acid [2-keto-2-[(4-methoxyphenyl)carbamoylamino]ethyl] ester Formula: C22H25N3O7S MolecularWeight: 475.5148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)NC(=O)COC(=O)C2=CC=CC=C2S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)NC(=O)COC(=O)C2=CC=CC=C2S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H25N3O7S/c1-31-17-11-9-16(10-12-17)23-22(28)24-20(26)15-32-21(27)18-7-3-4-8-19(18)33(29,30)25-13-5-2-6-14-25/h3-4,7-12H,2,5-6,13-15H2,1H3,(H2,23,24,26,28)