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

Systemtic Name: (E)-N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enamide Openeye Name: (E)-N-(4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enamide CAS Name: (E)-N-[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-2-cyano-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-propenamide IUPAC Name: (E)-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enamide Traditional Name: (E)-N-(4-chloro-3-pyrrolidinosulfonyl-phenyl)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)acrylamide Formula: C23H27ClN4O3S MolecularWeight: 475.00348

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3)C

Isomeric SMILES

CCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3)C

InChI

InChI=1S/C23H27ClN4O3S/c1-4-9-28-16(2)12-18(17(28)3)13-19(15-25)23(29)26-20-7-8-21(24)22(14-20)32(30,31)27-10-5-6-11-27/h7-8,12-14H,4-6,9-11H2,1-3H3,(H,26,29)/b19-13+