dimethyl 5-[(2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(2-methyl-5-pyrrolidin-1-ylsulfonyl-benzoyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[2-methyl-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(2-methyl-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(2-methyl-5-pyrrolidinosulfonyl-benzoyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H24N2O7S MolecularWeight: 460.50016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C22H24N2O7S/c1-14-6-7-18(32(28,29)24-8-4-5-9-24)13-19(14)20(25)23-17-11-15(21(26)30-2)10-16(12-17)22(27)31-3/h6-7,10-13H,4-5,8-9H2,1-3H3,(H,23,25)