(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-phenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-phenyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-N-(2-morpholino-5-morpholinosulfonyl-phenyl)prop-2-enamide CAS Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-N-[2-(4-morpholinyl)-5-(4-morpholinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-N-(2-morpholino-5-morpholinosulfonyl-phenyl)acrylamide Formula: C27H35N5O5S MolecularWeight: 541.6623

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCOCC4)C

Isomeric SMILES

CCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCOCC4)C

InChI

InChI=1S/C27H35N5O5S/c1-4-7-32-20(2)16-22(21(32)3)17-23(19-28)27(33)29-25-18-24(38(34,35)31-10-14-37-15-11-31)5-6-26(25)30-8-12-36-13-9-30/h5-6,16-18H,4,7-15H2,1-3H3,(H,29,33)/b23-17+