3-[bis(2,2-dimethyl-1,3-dioxan-5-yl)amino]propyl 4-methylbenzenesulfonate

Systemtic Name: 3-[bis(2,2-dimethyl-1,3-dioxan-5-yl)amino]propyl 4-methylbenzenesulfonate Openeye Name: 3-[bis(2,2-dimethyl-1,3-dioxan-5-yl)amino]propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-[bis(2,2-dimethyl-1,3-dioxan-5-yl)amino]propyl ester IUPAC Name: 3-[bis(2,2-dimethyl-1,3-dioxan-5-yl)amino]propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-[bis(2,2-dimethyl-1,3-dioxan-5-yl)amino]propyl ester Formula: C22H35NO7S MolecularWeight: 457.5808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCN(C2COC(OC2)(C)C)C3COC(OC3)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCN(C2COC(OC2)(C)C)C3COC(OC3)(C)C

InChI

InChI=1S/C22H35NO7S/c1-17-7-9-20(10-8-17)31(24,25)30-12-6-11-23(18-13-26-21(2,3)27-14-18)19-15-28-22(4,5)29-16-19/h7-10,18-19H,6,11-16H2,1-5H3