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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(CCOCC(C)C)N2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1CNC(CCOCC(C)C)N2CCN(CC2)S(=O)(=O)C

InChI

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