[7-methyl-1,4-bis(phenylmethyl)-1,4-diazocan-6-yl] methanesulfonate

Systemtic Name: [7-methyl-1,4-bis(phenylmethyl)-1,4-diazocan-6-yl] methanesulfonate Openeye Name: (1,4-dibenzyl-7-methyl-1,4-diazocan-6-yl) methanesulfonate CAS Name: methanesulfonic acid [7-methyl-1,4-bis(phenylmethyl)-1,4-diazocan-6-yl] ester IUPAC Name: (1,4-dibenzyl-7-methyl-1,4-diazocan-6-yl) methanesulfonate Traditional Name: methanesulfonic acid (1,4-dibenzyl-7-methyl-1,4-diazocan-6-yl) ester Formula: C22H30N2O3S MolecularWeight: 402.5502

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN(CC1OS(=O)(=O)C)CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC1CN(CCN(CC1OS(=O)(=O)C)CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H30N2O3S/c1-19-15-23(16-20-9-5-3-6-10-20)13-14-24(17-21-11-7-4-8-12-21)18-22(19)27-28(2,25)26/h3-12,19,22H,13-18H2,1-2H3