[bis(phenylmethyl)amino] methanesulfonate; 2-methyl-1-(4-phenylbutylamino)propan-2-ol

Systemtic Name: [bis(phenylmethyl)amino] methanesulfonate; 2-methyl-1-(4-phenylbutylamino)propan-2-ol Openeye Name: (dibenzylamino) methanesulfonate; 2-methyl-1-(4-phenylbutylamino)propan-2-ol CAS Name: methanesulfonic acid [bis(phenylmethyl)amino] ester; 2-methyl-1-(4-phenylbutylamino)-2-propanol IUPAC Name: (dibenzylamino) methanesulfonate; 2-methyl-1-(4-phenylbutylamino)propan-2-ol Traditional Name: methanesulfonic acid (dibenzylamino) ester; 2-methyl-1-(4-phenylbutylamino)propan-2-ol Formula: C29H40N2O4S MolecularWeight: 512.7039

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNCCCCC1=CC=CC=C1)O.CS(=O)(=O)ON(CC1=CC=CC=C1)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(CNCCCCC1=CC=CC=C1)O.CS(=O)(=O)ON(CC1=CC=CC=C1)CC2=CC=CC=C2

InChI

InChI=1S/C15H17NO3S.C14H23NO/c1-20(17,18)19-16(12-14-8-4-2-5-9-14)13-15-10-6-3-7-11-15;1-14(2,16)12-15-11-7-6-10-13-8-4-3-5-9-13/h2-11H,12-13H2,1H3;3-5,8-9,15-16H,6-7,10-12H2,1-2H3