3-cyanopropyl 4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxylate

Systemtic Name: 3-cyanopropyl 4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxylate Openeye Name: 3-cyanopropyl 4-morpholinosulfonyl-1H-pyrrole-2-carboxylate CAS Name: 4-(4-morpholinylsulfonyl)-1H-pyrrole-2-carboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxylate Traditional Name: 4-morpholinosulfonyl-1H-pyrrole-2-carboxylic acid 3-cyanopropyl ester Formula: C13H17N3O5S MolecularWeight: 327.35618

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CNC(=C2)C(=O)OCCCC#N

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CNC(=C2)C(=O)OCCCC#N

InChI

InChI=1S/C13H17N3O5S/c14-3-1-2-6-21-13(17)12-9-11(10-15-12)22(18,19)16-4-7-20-8-5-16/h9-10,15H,1-2,4-8H2