4-cyano-2-methyl-N-(3-piperidin-1-ylsulfonylphenyl)-5-pyrrol-1-yl-furan-3-carboxamide

Systemtic Name: 4-cyano-2-methyl-N-(3-piperidin-1-ylsulfonylphenyl)-5-pyrrol-1-yl-furan-3-carboxamide Openeye Name: 4-cyano-2-methyl-N-[3-(1-piperidylsulfonyl)phenyl]-5-pyrrol-1-yl-furan-3-carboxamide CAS Name: 4-cyano-2-methyl-N-[3-(1-piperidinylsulfonyl)phenyl]-5-(1-pyrrolyl)-3-furancarboxamide IUPAC Name: 4-cyano-2-methyl-N-(3-piperidin-1-ylsulfonylphenyl)-5-pyrrol-1-ylfuran-3-carboxamide Traditional Name: 4-cyano-2-methyl-N-(3-piperidinosulfonylphenyl)-5-pyrrol-1-yl-3-furamide Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H22N4O4S/c1-16-20(19(15-23)22(30-16)25-10-5-6-11-25)21(27)24-17-8-7-9-18(14-17)31(28,29)26-12-3-2-4-13-26/h5-11,14H,2-4,12-13H2,1H3,(H,24,27)