N-ethoxy-2-(4-methylphenyl)-2-[3-(phenylsulfonyl)piperazin-1-yl]ethanamine

Systemtic Name: N-ethoxy-2-(4-methylphenyl)-2-[3-(phenylsulfonyl)piperazin-1-yl]ethanamine Openeye Name: 2-[3-(benzenesulfonyl)piperazin-1-yl]-N-ethoxy-2-(p-tolyl)ethanamine CAS Name: 2-[3-(benzenesulfonyl)-1-piperazinyl]-N-ethoxy-2-(4-methylphenyl)ethanamine IUPAC Name: 2-[3-(benzenesulfonyl)piperazin-1-yl]-N-ethoxy-2-(4-methylphenyl)ethanamine Traditional Name: [2-(3-besylpiperazino)-2-(p-tolyl)ethyl]-ethoxy-amine Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CCONCC(C1=CC=C(C=C1)C)N2CCNC(C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCONCC(C1=CC=C(C=C1)C)N2CCNC(C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H29N3O3S/c1-3-27-23-15-20(18-11-9-17(2)10-12-18)24-14-13-22-21(16-24)28(25,26)19-7-5-4-6-8-19/h4-12,20-23H,3,13-16H2,1-2H3