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

Systemtic Name: 3-azanyl-4-phenylsulfanyl-5-pyrrol-1-ylsulfonyl-benzoic acid Openeye Name: 3-amino-4-phenylsulfanyl-5-pyrrol-1-ylsulfonyl-benzoic acid CAS Name: 3-amino-4-(phenylthio)-5-(1-pyrrolylsulfonyl)benzoic acid IUPAC Name: 3-amino-4-phenylsulfanyl-5-pyrrol-1-ylsulfonylbenzoic acid Traditional Name: 3-amino-4-(phenylthio)-5-pyrrol-1-ylsulfonyl-benzoic acid Formula: C17H14N2O4S2 MolecularWeight: 374.43406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=C(C=C2S(=O)(=O)N3C=CC=C3)C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=C(C=C2S(=O)(=O)N3C=CC=C3)C(=O)O)N

InChI

InChI=1S/C17H14N2O4S2/c18-14-10-12(17(20)21)11-15(25(22,23)19-8-4-5-9-19)16(14)24-13-6-2-1-3-7-13/h1-11H,18H2,(H,20,21)