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

Systemtic Name: 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]ethyl ester IUPAC Name: 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(naphthionylamino)ethyl ester Formula: C21H24N2O5S2 MolecularWeight: 448.55566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5S2/c1-16-10-12-17(13-11-16)30(26,27)28-15-14-22-29(24,25)21-9-5-6-18-19(21)7-4-8-20(18)23(2)3/h4-13,22H,14-15H2,1-3H3