3-(1-oxidanidylpyridin-1-ium-3-yl)propyl 4-[2-(4-propan-2-ylphenyl)sulfonylethanoyl]morpholine-3-carboxylate

Systemtic Name: 3-(1-oxidanidylpyridin-1-ium-3-yl)propyl 4-[2-(4-propan-2-ylphenyl)sulfonylethanoyl]morpholine-3-carboxylate Openeye Name: 3-(1-oxidopyridin-1-ium-3-yl)propyl 4-[2-(4-isopropylphenyl)sulfonylacetyl]morpholine-3-carboxylate CAS Name: 4-[1-oxo-2-(4-propan-2-ylphenyl)sulfonylethyl]-3-morpholinecarboxylic acid 3-(1-oxido-3-pyridin-1-iumyl)propyl ester IUPAC Name: 3-(1-oxidopyridin-1-ium-3-yl)propyl 4-[2-(4-propan-2-ylphenyl)sulfonylacetyl]morpholine-3-carboxylate Traditional Name: 4-(2-p-cumenylsulfonylacetyl)morpholine-3-carboxylic acid 3-(1-oxidopyridin-1-ium-3-yl)propyl ester Formula: C24H30N2O7S MolecularWeight: 490.5692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)CC(=O)N2CCOCC2C(=O)OCCCC3=C[N+](=CC=C3)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)CC(=O)N2CCOCC2C(=O)OCCCC3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C24H30N2O7S/c1-18(2)20-7-9-21(10-8-20)34(30,31)17-23(27)26-12-14-32-16-22(26)24(28)33-13-4-6-19-5-3-11-25(29)15-19/h3,5,7-11,15,18,22H,4,6,12-14,16-17H2,1-2H3