3-cyanopropyl 4-methyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: 3-cyanopropyl 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: 3-cyanopropyl 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid 3-cyanopropyl ester Formula: C16H20N2O5S MolecularWeight: 352.4054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCCCC#N)S(=O)(=O)N2CCOCC2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCCCC#N)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C16H20N2O5S/c1-13-4-5-14(16(19)23-9-3-2-6-17)12-15(13)24(20,21)18-7-10-22-11-8-18/h4-5,12H,2-3,7-11H2,1H3