4-[4-methylsulfonyl-2-(10-sulfinodecanoylamino)thiophen-3-yl]oxybutanoic acid

Systemtic Name: 4-[4-methylsulfonyl-2-(10-sulfinodecanoylamino)thiophen-3-yl]oxybutanoic acid Openeye Name: 4-[[4-methylsulfonyl-2-(10-sulfinodecanoylamino)-3-thienyl]oxy]butanoic acid CAS Name: 4-[[4-methylsulfonyl-2-[(1-oxo-10-sulfinodecyl)amino]-3-thiophenyl]oxy]butanoic acid IUPAC Name: 4-[4-methylsulfonyl-2-(10-sulfinodecanoylamino)thiophen-3-yl]oxybutanoic acid Traditional Name: 4-[[4-mesyl-2-(10-sulfinodecanoylamino)-3-thienyl]oxy]butyric acid Formula: C19H31NO8S3 MolecularWeight: 497.64634

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CSC(=C1OCCCC(=O)O)NC(=O)CCCCCCCCCS(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CSC(=C1OCCCC(=O)O)NC(=O)CCCCCCCCCS(=O)O

InChI

InChI=1S/C19H31NO8S3/c1-31(26,27)15-14-29-19(18(15)28-12-9-11-17(22)23)20-16(21)10-7-5-3-2-4-6-8-13-30(24)25/h14H,2-13H2,1H3,(H,20,21)(H,22,23)(H,24,25)