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

Systemtic Name: 3-methyl-4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]benzoic acid Openeye Name: 3-methyl-4-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoic acid CAS Name: 3-methyl-4-[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoic acid Traditional Name: 3-methyl-4-[(4-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=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

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

InChI

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