3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propyl 4-methylbenzenesulfonate

Systemtic Name: 3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propyl 4-methylbenzenesulfonate Openeye Name: 3-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]propyl ester IUPAC Name: 3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-(naphthionylamino)propyl ester Formula: C22H26N2O5S2 MolecularWeight: 462.58224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S2/c1-17-11-13-18(14-12-17)31(27,28)29-16-6-15-23-30(25,26)22-10-5-7-19-20(22)8-4-9-21(19)24(2)3/h4-5,7-14,23H,6,15-16H2,1-3H3