2-(5-chloranyl-4-methyl-2-pyrrol-1-ylsulfonyl-phenyl)sulfanyl-2-phenyl-ethanoic acid

Systemtic Name: 2-(5-chloranyl-4-methyl-2-pyrrol-1-ylsulfonyl-phenyl)sulfanyl-2-phenyl-ethanoic acid Openeye Name: 2-(5-chloro-4-methyl-2-pyrrol-1-ylsulfonyl-phenyl)sulfanyl-2-phenyl-acetic acid CAS Name: 2-[[5-chloro-4-methyl-2-(1-pyrrolylsulfonyl)phenyl]thio]-2-phenylacetic acid IUPAC Name: 2-(5-chloro-4-methyl-2-pyrrol-1-ylsulfonylphenyl)sulfanyl-2-phenylacetic acid Traditional Name: 2-[(5-chloro-4-methyl-2-pyrrol-1-ylsulfonyl-phenyl)thio]-2-phenyl-acetic acid Formula: C19H16ClNO4S2 MolecularWeight: 421.91764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)SC(C2=CC=CC=C2)C(=O)O)S(=O)(=O)N3C=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)SC(C2=CC=CC=C2)C(=O)O)S(=O)(=O)N3C=CC=C3

InChI

InChI=1S/C19H16ClNO4S2/c1-13-11-17(27(24,25)21-9-5-6-10-21)16(12-15(13)20)26-18(19(22)23)14-7-3-2-4-8-14/h2-12,18H,1H3,(H,22,23)