methyl 2-[4-[[2-(prop-2-enylcarbamoyl)phenyl]carbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-[[2-(prop-2-enylcarbamoyl)phenyl]carbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-[[2-(allylcarbamoyl)phenyl]carbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[oxo-[2-[oxo-(prop-2-enylamino)methyl]anilino]methyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[2-(prop-2-enylcarbamoyl)phenyl]carbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-[[2-(allylcarbamoyl)phenyl]carbamoyl]piperidino]sulfonylbenzoic acid methyl ester Formula: C24H27N3O6S MolecularWeight: 485.55268

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3C(=O)NCC=C

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3C(=O)NCC=C

InChI

InChI=1S/C24H27N3O6S/c1-3-14-25-23(29)18-8-4-6-10-20(18)26-22(28)17-12-15-27(16-13-17)34(31,32)21-11-7-5-9-19(21)24(30)33-2/h3-11,17H,1,12-16H2,2H3,(H,25,29)(H,26,28)