3-cyanopropyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate

Systemtic Name: 3-cyanopropyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate Openeye Name: 3-cyanopropyl 3-(4-morpholinosulfonylphenyl)propanoate CAS Name: 3-[4-(4-morpholinylsulfonyl)phenyl]propanoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-morpholinosulfonylphenyl)propionic acid 3-cyanopropyl ester Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCCCC#N

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCCCC#N

InChI

InChI=1S/C17H22N2O5S/c18-9-1-2-12-24-17(20)8-5-15-3-6-16(7-4-15)25(21,22)19-10-13-23-14-11-19/h3-4,6-7H,1-2,5,8,10-14H2