methyl 4-methyl-3-[(3-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[(3-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]benzoate Openeye Name: methyl 4-methyl-3-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate CAS Name: 4-methyl-3-[[oxo-[3-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate Traditional Name: 4-methyl-3-[(3-pyrrolidinosulfonylbenzoyl)amino]benzoic acid methyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H22N2O5S/c1-14-8-9-16(20(24)27-2)13-18(14)21-19(23)15-6-5-7-17(12-15)28(25,26)22-10-3-4-11-22/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,21,23)