(E)-2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)prop-2-enamide Openeye Name: (E)-2-cyano-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enamide CAS Name: (E)-2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)-3-pyrrolyl]-N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-3-(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)acrylamide Formula: C26H34N4O4S MolecularWeight: 498.63756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C(=CC2=C(N(C(=C2)C)CC(C)C)C)C#N)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)/C(=C/C2=C(N(C(=C2)C)CC(C)C)C)/C#N)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C26H34N4O4S/c1-6-34-24-10-9-23(15-25(24)35(32,33)29-11-7-8-12-29)28-26(31)22(16-27)14-21-13-19(4)30(20(21)5)17-18(2)3/h9-10,13-15,18H,6-8,11-12,17H2,1-5H3,(H,28,31)/b22-14+