1-[(3R,5S)-4-(4-tert-butylphenyl)sulfonyl-3,5-dimethyl-piperazin-1-yl]-2-thiophen-2-yl-ethanone

Systemtic Name: 1-[(3R,5S)-4-(4-tert-butylphenyl)sulfonyl-3,5-dimethyl-piperazin-1-yl]-2-thiophen-2-yl-ethanone Openeye Name: 1-[(3R,5S)-4-(4-tert-butylphenyl)sulfonyl-3,5-dimethyl-piperazin-1-yl]-2-(2-thienyl)ethanone CAS Name: 1-[(3R,5S)-4-(4-tert-butylphenyl)sulfonyl-3,5-dimethyl-1-piperazinyl]-2-thiophen-2-ylethanone IUPAC Name: 1-[(3R,5S)-4-(4-tert-butylphenyl)sulfonyl-3,5-dimethylpiperazin-1-yl]-2-thiophen-2-ylethanone Traditional Name: 1-[(3R,5S)-4-(4-tert-butylphenyl)sulfonyl-3,5-dimethyl-piperazino]-2-(2-thienyl)ethanone Formula: C22H30N2O3S2 MolecularWeight: 434.6152

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)C)C(=O)CC3=CC=CS3

Isomeric SMILES

C[C@@H]1CN(C[C@@H](N1S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)C)C(=O)CC3=CC=CS3

InChI

InChI=1S/C22H30N2O3S2/c1-16-14-23(21(25)13-19-7-6-12-28-19)15-17(2)24(16)29(26,27)20-10-8-18(9-11-20)22(3,4)5/h6-12,16-17H,13-15H2,1-5H3/t16-,17+