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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)Cl

InChI

InChI=1S/C20H21ClN2O6S/c1-28-20(25)15-6-2-3-7-17(15)22-19(24)13-29-18-9-8-14(12-16(18)21)30(26,27)23-10-4-5-11-23/h2-3,6-9,12H,4-5,10-11,13H2,1H3,(H,22,24)