(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]prop-2-enamide Openeye Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-N-[4-[(3-methyl-1-piperidyl)sulfonyl]phenyl]prop-2-enamide CAS Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-N-[4-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]prop-2-enamide Traditional Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-N-[4-(3-methylpiperidino)sulfonylphenyl]acrylamide Formula: C25H32N4O3S MolecularWeight: 468.61158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC(C3)C)C

Isomeric SMILES

CCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC(C3)C)C

InChI

InChI=1S/C25H32N4O3S/c1-5-12-29-19(3)14-21(20(29)4)15-22(16-26)25(30)27-23-8-10-24(11-9-23)33(31,32)28-13-6-7-18(2)17-28/h8-11,14-15,18H,5-7,12-13,17H2,1-4H3,(H,27,30)/b22-15+