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

Systemtic Name: 3-benzamido-4-phenylsulfanyl-5-pyrrol-1-ylsulfonyl-benzoic acid Openeye Name: 3-benzamido-4-phenylsulfanyl-5-pyrrol-1-ylsulfonyl-benzoic acid CAS Name: 3-benzamido-4-(phenylthio)-5-(1-pyrrolylsulfonyl)benzoic acid IUPAC Name: 3-benzamido-4-phenylsulfanyl-5-pyrrol-1-ylsulfonylbenzoic acid Traditional Name: 3-benzamido-4-(phenylthio)-5-pyrrol-1-ylsulfonyl-benzoic acid Formula: C24H18N2O5S2 MolecularWeight: 478.54012

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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)SC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N3C=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C24H18N2O5S2/c27-23(17-9-3-1-4-10-17)25-20-15-18(24(28)29)16-21(33(30,31)26-13-7-8-14-26)22(20)32-19-11-5-2-6-12-19/h1-16H,(H,25,27)(H,28,29)