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

Systemtic Name: 2-[3-(3-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-4-cyano-pyrrol-1-yl]ethanoic acid Openeye Name: 2-[3-[3-chloro-5-(1-piperidylsulfonyl)phenyl]-4-cyano-pyrrol-1-yl]acetic acid CAS Name: 2-[3-[3-chloro-5-(1-piperidinylsulfonyl)phenyl]-4-cyano-1-pyrrolyl]acetic acid IUPAC Name: 2-[3-(3-chloro-5-piperidin-1-ylsulfonylphenyl)-4-cyanopyrrol-1-yl]acetic acid Traditional Name: 2-[3-(3-chloro-5-piperidinosulfonyl-phenyl)-4-cyano-pyrrol-1-yl]acetic acid Formula: C18H18ClN3O4S MolecularWeight: 407.87122

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2)C3=CN(C=C3C#N)CC(=O)O)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2)C3=CN(C=C3C#N)CC(=O)O)Cl

InChI

InChI=1S/C18H18ClN3O4S/c19-15-6-13(17-11-21(12-18(23)24)10-14(17)9-20)7-16(8-15)27(25,26)22-4-2-1-3-5-22/h6-8,10-11H,1-5,12H2,(H,23,24)