butyl 4-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]benzoate

Systemtic Name: butyl 4-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]benzoate Openeye Name: butyl 4-[(2-chloro-5-pyrrolidin-1-ylsulfonyl-benzoyl)amino]benzoate CAS Name: 4-[[[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate Traditional Name: 4-[(2-chloro-5-pyrrolidinosulfonyl-benzoyl)amino]benzoic acid butyl ester Formula: C22H25ClN2O5S MolecularWeight: 464.9623

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

InChI

InChI=1S/C22H25ClN2O5S/c1-2-3-14-30-22(27)16-6-8-17(9-7-16)24-21(26)19-15-18(10-11-20(19)23)31(28,29)25-12-4-5-13-25/h6-11,15H,2-5,12-14H2,1H3,(H,24,26)