2-[(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]ethyl 4-phenoxybenzoate

Systemtic Name: 2-[(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]ethyl 4-phenoxybenzoate Openeye Name: 2-[(4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoyl)amino]ethyl 4-phenoxybenzoate CAS Name: 4-phenoxybenzoic acid 2-[[[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]ethyl ester IUPAC Name: 2-[(4-chloro-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]ethyl 4-phenoxybenzoate Traditional Name: 4-phenoxybenzoic acid 2-[(4-chloro-3-pyrrolidinosulfonyl-benzoyl)amino]ethyl ester Formula: C26H25ClN2O6S MolecularWeight: 529.0045

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCOC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCOC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)Cl

InChI

InChI=1S/C26H25ClN2O6S/c27-23-13-10-20(18-24(23)36(32,33)29-15-4-5-16-29)25(30)28-14-17-34-26(31)19-8-11-22(12-9-19)35-21-6-2-1-3-7-21/h1-3,6-13,18H,4-5,14-17H2,(H,28,30)