2-[2-[(3-chlorophenyl)carbamoyl]-4-pyrrolidin-1-ylsulfonyl-phenyl]sulfanylethanoic acid

Systemtic Name: 2-[2-[(3-chlorophenyl)carbamoyl]-4-pyrrolidin-1-ylsulfonyl-phenyl]sulfanylethanoic acid Openeye Name: 2-[2-[(3-chlorophenyl)carbamoyl]-4-pyrrolidin-1-ylsulfonyl-phenyl]sulfanylacetic acid CAS Name: 2-[[2-[(3-chloroanilino)-oxomethyl]-4-(1-pyrrolidinylsulfonyl)phenyl]thio]acetic acid IUPAC Name: 2-[2-[(3-chlorophenyl)carbamoyl]-4-pyrrolidin-1-ylsulfonylphenyl]sulfanylacetic acid Traditional Name: 2-[[2-[(3-chlorophenyl)carbamoyl]-4-pyrrolidinosulfonyl-phenyl]thio]acetic acid Formula: C19H19ClN2O5S2 MolecularWeight: 454.94756

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SCC(=O)O)C(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SCC(=O)O)C(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H19ClN2O5S2/c20-13-4-3-5-14(10-13)21-19(25)16-11-15(6-7-17(16)28-12-18(23)24)29(26,27)22-8-1-2-9-22/h3-7,10-11H,1-2,8-9,12H2,(H,21,25)(H,23,24)