5-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]pentan-2-yl 4-methylbenzenesulfonate

Systemtic Name: 5-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]pentan-2-yl 4-methylbenzenesulfonate Openeye Name: [4-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]-1-methyl-butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 5-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]pentan-2-yl ester IUPAC Name: 5-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]pentan-2-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-methyl-4-(naphthionylamino)butyl] ester Formula: C24H30N2O5S2 MolecularWeight: 490.6354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O5S2/c1-18-13-15-20(16-14-18)33(29,30)31-19(2)8-7-17-25-32(27,28)24-12-6-9-21-22(24)10-5-11-23(21)26(3)4/h5-6,9-16,19,25H,7-8,17H2,1-4H3