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

Systemtic Name: methyl 4-[2-(2-chloranyl-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanoylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 4-[[2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)acetyl]amino]benzoate Traditional Name: 4-[[2-(2-chloro-4-pyrrolidinosulfonyl-phenoxy)acetyl]amino]benzoic acid methyl ester Formula: C20H21ClN2O6S MolecularWeight: 452.90854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O6S/c1-28-20(25)14-4-6-15(7-5-14)22-19(24)13-29-18-9-8-16(12-17(18)21)30(26,27)23-10-2-3-11-23/h4-9,12H,2-3,10-11,13H2,1H3,(H,22,24)