2-[4-[(4-ethoxyphenyl)carbamoyl]-2-morpholin-4-ylsulfonyl-phenyl]sulfanylethanoic acid

Systemtic Name: 2-[4-[(4-ethoxyphenyl)carbamoyl]-2-morpholin-4-ylsulfonyl-phenyl]sulfanylethanoic acid Openeye Name: 2-[4-[(4-ethoxyphenyl)carbamoyl]-2-morpholinosulfonyl-phenyl]sulfanylacetic acid CAS Name: 2-[[4-[(4-ethoxyanilino)-oxomethyl]-2-(4-morpholinylsulfonyl)phenyl]thio]acetic acid IUPAC Name: 2-[4-[(4-ethoxyphenyl)carbamoyl]-2-morpholin-4-ylsulfonylphenyl]sulfanylacetic acid Traditional Name: 2-[[2-morpholinosulfonyl-4-(p-phenetylcarbamoyl)phenyl]thio]acetic acid Formula: C21H24N2O7S2 MolecularWeight: 480.55446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)SCC(=O)O)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)SCC(=O)O)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H24N2O7S2/c1-2-30-17-6-4-16(5-7-17)22-21(26)15-3-8-18(31-14-20(24)25)19(13-15)32(27,28)23-9-11-29-12-10-23/h3-8,13H,2,9-12,14H2,1H3,(H,22,26)(H,24,25)