methyl 4-[(3,5-dimethyl-4-morpholin-4-ylsulfonyl-pyrazol-1-yl)methyl]benzoate

Systemtic Name: methyl 4-[(3,5-dimethyl-4-morpholin-4-ylsulfonyl-pyrazol-1-yl)methyl]benzoate Openeye Name: methyl 4-[(3,5-dimethyl-4-morpholinosulfonyl-pyrazol-1-yl)methyl]benzoate CAS Name: 4-[[3,5-dimethyl-4-(4-morpholinylsulfonyl)-1-pyrazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]benzoate Traditional Name: 4-[(3,5-dimethyl-4-morpholinosulfonyl-pyrazol-1-yl)methyl]benzoic acid methyl ester Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)OC)C)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)OC)C)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H23N3O5S/c1-13-17(27(23,24)20-8-10-26-11-9-20)14(2)21(19-13)12-15-4-6-16(7-5-15)18(22)25-3/h4-7H,8-12H2,1-3H3