ethyl 4-methyl-3-[(2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]benzoate

Systemtic Name: ethyl 4-methyl-3-[(2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]benzoate Openeye Name: ethyl 4-methyl-3-[(2-methyl-5-pyrrolidin-1-ylsulfonyl-benzoyl)amino]benzoate CAS Name: 4-methyl-3-[[[2-methyl-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-methyl-3-[(2-methyl-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate Traditional Name: 4-methyl-3-[(2-methyl-5-pyrrolidinosulfonyl-benzoyl)amino]benzoic acid ethyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)C)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)C)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)C

InChI

InChI=1S/C22H26N2O5S/c1-4-29-22(26)17-9-7-16(3)20(13-17)23-21(25)19-14-18(10-8-15(19)2)30(27,28)24-11-5-6-12-24/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,23,25)