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

Systemtic Name: methyl 2-[2-(2-methyl-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanoylamino]benzoate Openeye Name: methyl 2-[[2-(2-methyl-4-pyrrolidin-1-ylsulfonyl-phenoxy)acetyl]amino]benzoate CAS Name: 2-[[2-[2-methyl-4-(1-pyrrolidinylsulfonyl)phenoxy]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetyl]amino]benzoate Traditional Name: 2-[[2-(2-methyl-4-pyrrolidinosulfonyl-phenoxy)acetyl]amino]benzoic acid methyl ester Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)OCC(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)OCC(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C21H24N2O6S/c1-15-13-16(30(26,27)23-11-5-6-12-23)9-10-19(15)29-14-20(24)22-18-8-4-3-7-17(18)21(25)28-2/h3-4,7-10,13H,5-6,11-12,14H2,1-2H3,(H,22,24)