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

Systemtic Name: [2-methoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl] 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-methoxy-4-[(E)-2-(4-pyridyl)vinyl]phenyl] 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [2-methoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl] 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [2-methoxy-4-[(E)-2-(4-pyridyl)vinyl]phenyl] ester Formula: C25H24N2O5S MolecularWeight: 464.53346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC2=CC=NC=C2)OC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C2=CC=NC=C2)OC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C25H24N2O5S/c1-31-24-18-20(5-4-19-12-14-26-15-13-19)6-11-23(24)32-25(28)21-7-9-22(10-8-21)33(29,30)27-16-2-3-17-27/h4-15,18H,2-3,16-17H2,1H3/b5-4+