[4-(phenylcarbamoyl)phenyl]methyl 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [4-(phenylcarbamoyl)phenyl]methyl 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [4-(phenylcarbamoyl)phenyl]methyl 2-chloro-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-chloro-5-(1-pyrrolidinylsulfonyl)benzoic acid [4-[anilino(oxo)methyl]phenyl]methyl ester IUPAC Name: [4-(phenylcarbamoyl)phenyl]methyl 2-chloro-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-pyrrolidinosulfonyl-benzoic acid [4-(phenylcarbamoyl)benzyl] ester Formula: C25H23ClN2O5S MolecularWeight: 498.97852

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C25H23ClN2O5S/c26-23-13-12-21(34(31,32)28-14-4-5-15-28)16-22(23)25(30)33-17-18-8-10-19(11-9-18)24(29)27-20-6-2-1-3-7-20/h1-3,6-13,16H,4-5,14-15,17H2,(H,27,29)