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

Systemtic Name: N-ethoxy-2-(4-ethylphenyl)-2-[3-(phenylsulfonyl)piperazin-1-yl]ethanamine Openeye Name: 2-[3-(benzenesulfonyl)piperazin-1-yl]-N-ethoxy-2-(4-ethylphenyl)ethanamine CAS Name: 2-[3-(benzenesulfonyl)-1-piperazinyl]-N-ethoxy-2-(4-ethylphenyl)ethanamine IUPAC Name: 2-[3-(benzenesulfonyl)piperazin-1-yl]-N-ethoxy-2-(4-ethylphenyl)ethanamine Traditional Name: [2-(3-besylpiperazino)-2-(4-ethylphenyl)ethyl]-ethoxy-amine Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CNOCC)N2CCNC(C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C(CNOCC)N2CCNC(C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H31N3O3S/c1-3-18-10-12-19(13-11-18)21(16-24-28-4-2)25-15-14-23-22(17-25)29(26,27)20-8-6-5-7-9-20/h5-13,21-24H,3-4,14-17H2,1-2H3