[4-[(E)-2-pyridin-2-ylethenyl]phenyl] 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [4-[(E)-2-pyridin-2-ylethenyl]phenyl] 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [4-[(E)-2-(2-pyridyl)vinyl]phenyl] 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [4-[(E)-2-(2-pyridinyl)ethenyl]phenyl] ester IUPAC Name: [4-[(E)-2-pyridin-2-ylethenyl]phenyl] 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [4-[(E)-2-(2-pyridyl)vinyl]phenyl] ester Formula: C24H22N2O4S MolecularWeight: 434.50748

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C=CC4=CC=CC=N4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)/C=C/C4=CC=CC=N4

InChI

InChI=1S/C24H22N2O4S/c27-24(20-9-14-23(15-10-20)31(28,29)26-17-3-4-18-26)30-22-12-7-19(8-13-22)6-11-21-5-1-2-16-25-21/h1-2,5-16H,3-4,17-18H2/b11-6+