ethyl 4-methylbenzenesulfonate; 2-[hexyl-(4-methylphenyl)sulfonyl-amino]ethyl 4-methylbenzenesulfonate

Systemtic Name: ethyl 4-methylbenzenesulfonate; 2-[hexyl-(4-methylphenyl)sulfonyl-amino]ethyl 4-methylbenzenesulfonate Openeye Name: ethyl 4-methylbenzenesulfonate; 2-[hexyl(p-tolylsulfonyl)amino]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid ethyl ester; 4-methylbenzenesulfonic acid 2-[hexyl-(4-methylphenyl)sulfonylamino]ethyl ester IUPAC Name: ethyl 4-methylbenzenesulfonate; 2-[hexyl-(4-methylphenyl)sulfonylamino]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid ethyl ester; 4-methylbenzenesulfonic acid 2-[hexyl(tosyl)amino]ethyl ester Formula: C31H43NO8S3 MolecularWeight: 653.87002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCOS(=O)(=O)C1=CC=C(C=C1)C)S(=O)(=O)C2=CC=C(C=C2)C.CCOS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCCCN(CCOS(=O)(=O)C1=CC=C(C=C1)C)S(=O)(=O)C2=CC=C(C=C2)C.CCOS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C22H31NO5S2.C9H12O3S/c1-4-5-6-7-16-23(29(24,25)21-12-8-19(2)9-13-21)17-18-28-30(26,27)22-14-10-20(3)11-15-22;1-3-12-13(10,11)9-6-4-8(2)5-7-9/h8-15H,4-7,16-18H2,1-3H3;4-7H,3H2,1-2H3