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

Systemtic Name: [bis(phenylmethyl)amino] 4-methylbenzenesulfonate; 2-methyl-1-(4-phenylbutylamino)propan-2-ol Openeye Name: (dibenzylamino) 4-methylbenzenesulfonate; 2-methyl-1-(4-phenylbutylamino)propan-2-ol CAS Name: 4-methylbenzenesulfonic acid [bis(phenylmethyl)amino] ester; 2-methyl-1-(4-phenylbutylamino)-2-propanol IUPAC Name: (dibenzylamino) 4-methylbenzenesulfonate; 2-methyl-1-(4-phenylbutylamino)propan-2-ol Traditional Name: 4-methylbenzenesulfonic acid (dibenzylamino) ester; 2-methyl-1-(4-phenylbutylamino)propan-2-ol Formula: C35H44N2O4S MolecularWeight: 588.79986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON(CC2=CC=CC=C2)CC3=CC=CC=C3.CC(C)(CNCCCCC1=CC=CC=C1)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ON(CC2=CC=CC=C2)CC3=CC=CC=C3.CC(C)(CNCCCCC1=CC=CC=C1)O

InChI

InChI=1S/C21H21NO3S.C14H23NO/c1-18-12-14-21(15-13-18)26(23,24)25-22(16-19-8-4-2-5-9-19)17-20-10-6-3-7-11-20;1-14(2,16)12-15-11-7-6-10-13-8-4-3-5-9-13/h2-15H,16-17H2,1H3;3-5,8-9,15-16H,6-7,10-12H2,1-2H3