[5-(heptylamino)-5-oxidanylidene-pentyl] 4-methylbenzenesulfonate

Systemtic Name: [5-(heptylamino)-5-oxidanylidene-pentyl] 4-methylbenzenesulfonate Openeye Name: [5-(heptylamino)-5-oxo-pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-(heptylamino)-5-oxopentyl] ester IUPAC Name: [5-(heptylamino)-5-oxopentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-(heptylamino)-5-keto-pentyl] ester Formula: C19H31NO4S MolecularWeight: 369.51874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)CCCCOS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCCCCNC(=O)CCCCOS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C19H31NO4S/c1-3-4-5-6-8-15-20-19(21)10-7-9-16-24-25(22,23)18-13-11-17(2)12-14-18/h11-14H,3-10,15-16H2,1-2H3,(H,20,21)