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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)O)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)O)S(=O)(=O)N3CCCC3

InChI

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