1-[2,5-bis(chloranyl)thiophen-3-yl]sulfonyl-4-[(4-tert-butylphenyl)methyl]piperazine

Systemtic Name: 1-[2,5-bis(chloranyl)thiophen-3-yl]sulfonyl-4-[(4-tert-butylphenyl)methyl]piperazine Openeye Name: 1-[(4-tert-butylphenyl)methyl]-4-[(2,5-dichloro-3-thienyl)sulfonyl]piperazine CAS Name: 1-[(4-tert-butylphenyl)methyl]-4-[(2,5-dichloro-3-thiophenyl)sulfonyl]piperazine IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-4-(2,5-dichlorothiophen-3-yl)sulfonylpiperazine Traditional Name: 1-(4-tert-butylbenzyl)-4-[(2,5-dichloro-3-thienyl)sulfonyl]piperazine Formula: C19H24Cl2N2O2S2 MolecularWeight: 447.44206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=C(SC(=C3)Cl)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=C(SC(=C3)Cl)Cl

InChI

InChI=1S/C19H24Cl2N2O2S2/c1-19(2,3)15-6-4-14(5-7-15)13-22-8-10-23(11-9-22)27(24,25)16-12-17(20)26-18(16)21/h4-7,12H,8-11,13H2,1-3H3