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

Systemtic Name: N-[(2-methylphenyl)methyl]-1-(2-methylpropoxy)-3-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-amine Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-isobutoxy-N-(o-tolylmethyl)propan-2-amine CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-N-[(2-methylphenyl)methyl]-3-(2-methylpropoxy)-2-propanamine IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]-3-(2-methylpropoxy)propan-2-amine Traditional Name: [1-[(4-besylpiperazino)methyl]-2-isobutoxy-ethyl]-(2-methylbenzyl)amine Formula: C25H37N3O3S MolecularWeight: 459.64458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)COCC(C)C

Isomeric SMILES

CC1=CC=CC=C1CNC(CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)COCC(C)C

InChI

InChI=1S/C25H37N3O3S/c1-21(2)19-31-20-24(26-17-23-10-8-7-9-22(23)3)18-27-13-15-28(16-14-27)32(29,30)25-11-5-4-6-12-25/h4-12,21,24,26H,13-20H2,1-3H3