5-(dipentylamino)-5-oxidanylidene-4-(phenylsulfonylmethyl)pentanoic acid

Systemtic Name: 5-(dipentylamino)-5-oxidanylidene-4-(phenylsulfonylmethyl)pentanoic acid Openeye Name: 4-(benzenesulfonylmethyl)-5-(dipentylamino)-5-oxo-pentanoic acid CAS Name: 4-(benzenesulfonylmethyl)-5-(dipentylamino)-5-oxopentanoic acid IUPAC Name: 4-(benzenesulfonylmethyl)-5-(dipentylamino)-5-oxopentanoic acid Traditional Name: 4-(besylmethyl)-5-(diamylamino)-5-keto-valeric acid Formula: C22H35NO5S MolecularWeight: 425.582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)C(=O)C(CCC(=O)O)CS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCN(CCCCC)C(=O)C(CCC(=O)O)CS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C22H35NO5S/c1-3-5-10-16-23(17-11-6-4-2)22(26)19(14-15-21(24)25)18-29(27,28)20-12-8-7-9-13-20/h7-9,12-13,19H,3-6,10-11,14-18H2,1-2H3,(H,24,25)