11-[[2-methylsulfonyl-6-(4-sulfinobutoxy)phenyl]amino]-11-oxidanylidene-undecane-1-sulfinic acid

Systemtic Name: 11-[[2-methylsulfonyl-6-(4-sulfinobutoxy)phenyl]amino]-11-oxidanylidene-undecane-1-sulfinic acid Openeye Name: 11-[2-methylsulfonyl-6-(4-sulfinobutoxy)anilino]-11-oxo-undecane-1-sulfinic acid CAS Name: 11-[2-methylsulfonyl-6-(4-sulfinobutoxy)anilino]-11-oxo-1-undecanesulfinic acid IUPAC Name: 11-[2-methylsulfonyl-6-(4-sulfinobutoxy)anilino]-11-oxoundecane-1-sulfinic acid Traditional Name: 11-keto-11-[2-mesyl-6-(4-sulfinobutoxy)anilino]undecane-1-sulfinic acid Formula: C22H37NO8S3 MolecularWeight: 539.72608

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1NC(=O)CCCCCCCCCCS(=O)O)OCCCCS(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1NC(=O)CCCCCCCCCCS(=O)O)OCCCCS(=O)O

InChI

InChI=1S/C22H37NO8S3/c1-34(29,30)20-14-12-13-19(31-16-9-11-18-33(27)28)22(20)23-21(24)15-8-6-4-2-3-5-7-10-17-32(25)26/h12-14H,2-11,15-18H2,1H3,(H,23,24)(H,25,26)(H,27,28)