1-[6-[(4-tert-butylphenyl)methylsulfanyl]pyridin-3-yl]sulfonyl-4-methyl-piperazine

Systemtic Name: 1-[6-[(4-tert-butylphenyl)methylsulfanyl]pyridin-3-yl]sulfonyl-4-methyl-piperazine Openeye Name: 1-[[6-[(4-tert-butylphenyl)methylsulfanyl]-3-pyridyl]sulfonyl]-4-methyl-piperazine CAS Name: 1-[[6-[(4-tert-butylphenyl)methylthio]-3-pyridinyl]sulfonyl]-4-methylpiperazine IUPAC Name: 1-[6-[(4-tert-butylphenyl)methylsulfanyl]pyridin-3-yl]sulfonyl-4-methylpiperazine Traditional Name: 1-[[6-[(4-tert-butylbenzyl)thio]-3-pyridyl]sulfonyl]-4-methyl-piperazine Formula: C21H29N3O2S2 MolecularWeight: 419.60386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)C

InChI

InChI=1S/C21H29N3O2S2/c1-21(2,3)18-7-5-17(6-8-18)16-27-20-10-9-19(15-22-20)28(25,26)24-13-11-23(4)12-14-24/h5-10,15H,11-14,16H2,1-4H3