ethyl 4-[2-(2-chloranyl-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(2-chloranyl-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(2-chloro-4-pyrrolidin-1-ylsulfonyl-phenoxy)acetyl]amino]benzoate CAS Name: 4-[[2-[2-chloro-4-(1-pyrrolidinylsulfonyl)phenoxy]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)acetyl]amino]benzoate Traditional Name: 4-[[2-(2-chloro-4-pyrrolidinosulfonyl-phenoxy)acetyl]amino]benzoic acid ethyl ester Formula: C21H23ClN2O6S MolecularWeight: 466.93512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)Cl

InChI

InChI=1S/C21H23ClN2O6S/c1-2-29-21(26)15-5-7-16(8-6-15)23-20(25)14-30-19-10-9-17(13-18(19)22)31(27,28)24-11-3-4-12-24/h5-10,13H,2-4,11-12,14H2,1H3,(H,23,25)