3-benzamido-4-chloranyl-5-pyrrol-1-ylsulfonyl-benzoic acid

Systemtic Name: 3-benzamido-4-chloranyl-5-pyrrol-1-ylsulfonyl-benzoic acid Openeye Name: 3-benzamido-4-chloro-5-pyrrol-1-ylsulfonyl-benzoic acid CAS Name: 3-benzamido-4-chloro-5-(1-pyrrolylsulfonyl)benzoic acid IUPAC Name: 3-benzamido-4-chloro-5-pyrrol-1-ylsulfonylbenzoic acid Traditional Name: 3-benzamido-4-chloro-5-pyrrol-1-ylsulfonyl-benzoic acid Formula: C18H13ClN2O5S MolecularWeight: 404.82422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N3C=CC=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N3C=CC=C3)Cl

InChI

InChI=1S/C18H13ClN2O5S/c19-16-14(20-17(22)12-6-2-1-3-7-12)10-13(18(23)24)11-15(16)27(25,26)21-8-4-5-9-21/h1-11H,(H,20,22)(H,23,24)