[1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-yl-benzoate

Systemtic Name: [1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-yl-benzoate Openeye Name: [2-(allylamino)-1-methyl-2-oxo-ethyl] 5-(1-piperidylsulfonyl)-2-pyrrolidin-1-yl-benzoate CAS Name: 5-(1-piperidinylsulfonyl)-2-(1-pyrrolidinyl)benzoic acid [1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(prop-2-enylamino)propan-2-yl] 5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-piperidinosulfonyl-2-pyrrolidino-benzoic acid [2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H31N3O5S MolecularWeight: 449.56364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)OC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CCCC3

Isomeric SMILES

CC(C(=O)NCC=C)OC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CCCC3

InChI

InChI=1S/C22H31N3O5S/c1-3-11-23-21(26)17(2)30-22(27)19-16-18(9-10-20(19)24-12-7-8-13-24)31(28,29)25-14-5-4-6-15-25/h3,9-10,16-17H,1,4-8,11-15H2,2H3,(H,23,26)