ethyl 3-chloranyl-4-[[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]carbonylamino]benzoate

Systemtic Name: ethyl 3-chloranyl-4-[[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]carbonylamino]benzoate Openeye Name: ethyl 3-chloro-4-[[4-(pyrrolidin-1-ylsulfonylmethyl)benzoyl]amino]benzoate CAS Name: 3-chloro-4-[[oxo-[4-(1-pyrrolidinylsulfonylmethyl)phenyl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-chloro-4-[[4-(pyrrolidin-1-ylsulfonylmethyl)benzoyl]amino]benzoate Traditional Name: 3-chloro-4-[[4-(pyrrolidinosulfonylmethyl)benzoyl]amino]benzoic acid ethyl ester Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)CS(=O)(=O)N3CCCC3)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)CS(=O)(=O)N3CCCC3)Cl

InChI

InChI=1S/C21H23ClN2O5S/c1-2-29-21(26)17-9-10-19(18(22)13-17)23-20(25)16-7-5-15(6-8-16)14-30(27,28)24-11-3-4-12-24/h5-10,13H,2-4,11-12,14H2,1H3,(H,23,25)