2-[3-(3-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-4-cyano-pyrrol-1-yl]ethanoic acid

Systemtic Name: 2-[3-(3-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-4-cyano-pyrrol-1-yl]ethanoic acid Openeye Name: 2-[3-(3-chloro-5-morpholinosulfonyl-phenyl)-4-cyano-pyrrol-1-yl]acetic acid CAS Name: 2-[3-[3-chloro-5-(4-morpholinylsulfonyl)phenyl]-4-cyano-1-pyrrolyl]acetic acid IUPAC Name: 2-[3-(3-chloro-5-morpholin-4-ylsulfonylphenyl)-4-cyanopyrrol-1-yl]acetic acid Traditional Name: 2-[3-(3-chloro-5-morpholinosulfonyl-phenyl)-4-cyano-pyrrol-1-yl]acetic acid Formula: C17H16ClN3O5S MolecularWeight: 409.84404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=CC(=C2)C3=CN(C=C3C#N)CC(=O)O)Cl

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=CC(=C2)C3=CN(C=C3C#N)CC(=O)O)Cl

InChI

InChI=1S/C17H16ClN3O5S/c18-14-5-12(16-10-20(11-17(22)23)9-13(16)8-19)6-15(7-14)27(24,25)21-1-3-26-4-2-21/h5-7,9-10H,1-4,11H2,(H,22,23)