3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]carbonyl-prop-2-enenitrile

Systemtic Name: 3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]carbonyl-prop-2-enenitrile Openeye Name: 3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]prop-2-enenitrile CAS Name: 3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-[[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-2-propenenitrile IUPAC Name: 3-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]prop-2-enenitrile Traditional Name: 3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]acrylonitrile Formula: C23H27FN4O3S MolecularWeight: 458.548883

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C23H27FN4O3S/c1-4-9-28-17(2)14-19(18(28)3)15-20(16-25)23(29)26-10-12-27(13-11-26)32(30,31)22-7-5-21(24)6-8-22/h5-8,14-15H,4,9-13H2,1-3H3