N-[(E)-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]methylideneamino]pyridine-3-carboxamide

Systemtic Name: N-[(E)-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]methylideneamino]pyridine-3-carboxamide Openeye Name: N-[(E)-[2,5-dimethyl-1-(3-morpholinosulfonylphenyl)pyrrol-3-yl]methyleneamino]pyridine-3-carboxamide CAS Name: N-[(E)-[2,5-dimethyl-1-[3-(4-morpholinylsulfonyl)phenyl]-3-pyrrolyl]methylideneamino]-3-pyridinecarboxamide IUPAC Name: N-[(E)-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]methylideneamino]pyridine-3-carboxamide Traditional Name: N-[(E)-[2,5-dimethyl-1-(3-morpholinosulfonylphenyl)pyrrol-3-yl]methyleneamino]nicotinamide Formula: C23H25N5O4S MolecularWeight: 467.5407

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C)C=NNC(=O)C4=CN=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C)/C=N/NC(=O)C4=CN=CC=C4

InChI

InChI=1S/C23H25N5O4S/c1-17-13-20(16-25-26-23(29)19-5-4-8-24-15-19)18(2)28(17)21-6-3-7-22(14-21)33(30,31)27-9-11-32-12-10-27/h3-8,13-16H,9-12H2,1-2H3,(H,26,29)/b25-16+