6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexyl 4-methylbenzenesulfonate

Systemtic Name: 6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexyl 4-methylbenzenesulfonate Openeye Name: 6-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]hexyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 6-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]hexyl ester IUPAC Name: 6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 6-(naphthionylamino)hexyl ester Formula: C25H32N2O5S2 MolecularWeight: 504.66198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCNS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCNS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C

InChI

InChI=1S/C25H32N2O5S2/c1-20-14-16-21(17-15-20)34(30,31)32-19-7-5-4-6-18-26-33(28,29)25-13-9-10-22-23(25)11-8-12-24(22)27(2)3/h8-17,26H,4-7,18-19H2,1-3H3