4-[(3,4-dichlorophenyl)sulfonylmethyl]-5-(diheptylamino)-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[(3,4-dichlorophenyl)sulfonylmethyl]-5-(diheptylamino)-5-oxidanylidene-pentanoic acid Openeye Name: 4-[(3,4-dichlorophenyl)sulfonylmethyl]-5-(diheptylamino)-5-oxo-pentanoic acid CAS Name: 4-[(3,4-dichlorophenyl)sulfonylmethyl]-5-(diheptylamino)-5-oxopentanoic acid IUPAC Name: 4-[(3,4-dichlorophenyl)sulfonylmethyl]-5-(diheptylamino)-5-oxopentanoic acid Traditional Name: 4-[(3,4-dichlorophenyl)sulfonylmethyl]-5-(diheptylamino)-5-keto-valeric acid Formula: C26H41Cl2NO5S MolecularWeight: 550.57844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CCCCCCC)C(=O)C(CCC(=O)O)CS(=O)(=O)C1=CC(=C(C=C1)Cl)Cl

Isomeric SMILES

CCCCCCCN(CCCCCCC)C(=O)C(CCC(=O)O)CS(=O)(=O)C1=CC(=C(C=C1)Cl)Cl

InChI

InChI=1S/C26H41Cl2NO5S/c1-3-5-7-9-11-17-29(18-12-10-8-6-4-2)26(32)21(13-16-25(30)31)20-35(33,34)22-14-15-23(27)24(28)19-22/h14-15,19,21H,3-13,16-18,20H2,1-2H3,(H,30,31)