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

Systemtic Name: N-[(E)-[2,5-dimethyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)pyrrol-3-yl]methylideneamino]pyridine-3-carboxamide Openeye Name: N-[(E)-[2,5-dimethyl-1-(5-morpholinosulfonyl-2-pyrrolidin-1-yl-phenyl)pyrrol-3-yl]methyleneamino]pyridine-3-carboxamide CAS Name: N-[(E)-[2,5-dimethyl-1-[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)phenyl]-3-pyrrolyl]methylideneamino]-3-pyridinecarboxamide IUPAC Name: N-[(E)-[2,5-dimethyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)pyrrol-3-yl]methylideneamino]pyridine-3-carboxamide Traditional Name: N-[(E)-[2,5-dimethyl-1-(5-morpholinosulfonyl-2-pyrrolidino-phenyl)pyrrol-3-yl]methyleneamino]nicotinamide Formula: C27H32N6O4S MolecularWeight: 536.64578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4)C)C=NNC(=O)C5=CN=CC=C5

Isomeric SMILES

CC1=CC(=C(N1C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4)C)/C=N/NC(=O)C5=CN=CC=C5

InChI

InChI=1S/C27H32N6O4S/c1-20-16-23(19-29-30-27(34)22-6-5-9-28-18-22)21(2)33(20)26-17-24(7-8-25(26)31-10-3-4-11-31)38(35,36)32-12-14-37-15-13-32/h5-9,16-19H,3-4,10-15H2,1-2H3,(H,30,34)/b29-19+