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

Systemtic Name: 3-methyl-4-[(3-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]benzoic acid Openeye Name: 3-methyl-4-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoic acid CAS Name: 3-methyl-4-[[oxo-[3-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoic acid Traditional Name: 3-methyl-4-[(3-pyrrolidinosulfonylbenzoyl)amino]benzoic acid Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O5S/c1-13-11-15(19(23)24)7-8-17(13)20-18(22)14-5-4-6-16(12-14)27(25,26)21-9-2-3-10-21/h4-8,11-12H,2-3,9-10H2,1H3,(H,20,22)(H,23,24)