N-[(2-methylphenyl)methyl]-1-(2-methylpropoxy)-3-(4-methylsulfonylpiperazin-1-yl)propan-2-amine

Systemtic Name: N-[(2-methylphenyl)methyl]-1-(2-methylpropoxy)-3-(4-methylsulfonylpiperazin-1-yl)propan-2-amine Openeye Name: 1-isobutoxy-3-(4-methylsulfonylpiperazin-1-yl)-N-(o-tolylmethyl)propan-2-amine CAS Name: N-[(2-methylphenyl)methyl]-1-(2-methylpropoxy)-3-(4-methylsulfonyl-1-piperazinyl)-2-propanamine IUPAC Name: N-[(2-methylphenyl)methyl]-1-(2-methylpropoxy)-3-(4-methylsulfonylpiperazin-1-yl)propan-2-amine Traditional Name: [1-(isobutoxymethyl)-2-(4-mesylpiperazino)ethyl]-(2-methylbenzyl)amine Formula: C20H35N3O3S MolecularWeight: 397.5752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(CN2CCN(CC2)S(=O)(=O)C)COCC(C)C

Isomeric SMILES

CC1=CC=CC=C1CNC(CN2CCN(CC2)S(=O)(=O)C)COCC(C)C

InChI

InChI=1S/C20H35N3O3S/c1-17(2)15-26-16-20(21-13-19-8-6-5-7-18(19)3)14-22-9-11-23(12-10-22)27(4,24)25/h5-8,17,20-21H,9-16H2,1-4H3