N-[3-(tert-butylamino)propyl]-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanamide

Systemtic Name: N-[3-(tert-butylamino)propyl]-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanamide Openeye Name: N-[3-(tert-butylamino)propyl]-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide CAS Name: N-[3-(tert-butylamino)propyl]-2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]acetamide IUPAC Name: N-[3-(tert-butylamino)propyl]-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide Traditional Name: N-[3-(tert-butylamino)propyl]-2-[4-(2,5-dimethylphenyl)sulfonylpiperazino]acetamide Formula: C21H36N4O3S MolecularWeight: 424.60054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CC(=O)NCCCNC(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CC(=O)NCCCNC(C)(C)C

InChI

InChI=1S/C21H36N4O3S/c1-17-7-8-18(2)19(15-17)29(27,28)25-13-11-24(12-14-25)16-20(26)22-9-6-10-23-21(3,4)5/h7-8,15,23H,6,9-14,16H2,1-5H3,(H,22,26)