[(3S)-1-(4-fluorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [(3S)-1-(4-fluorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [(3S)-1-(4-fluorobenzoyl)-2-oxo-azepan-3-yl] 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [(3S)-1-[(4-fluorophenyl)-oxomethyl]-2-oxo-3-azepanyl] ester IUPAC Name: [(3S)-1-(4-fluorobenzoyl)-2-oxoazepan-3-yl] 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [(3S)-1-(4-fluorobenzoyl)-2-keto-azepan-3-yl] ester Formula: C24H25FN2O6S MolecularWeight: 488.528503

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(C(=O)[C@H](C1)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H25FN2O6S/c25-19-10-6-17(7-11-19)22(28)27-16-2-1-5-21(23(27)29)33-24(30)18-8-12-20(13-9-18)34(31,32)26-14-3-4-15-26/h6-13,21H,1-5,14-16H2/t21-/m0/s1