N-tert-butyl-2-[5-[4-(phenylmethyl)piperazin-1-yl]sulfonylpyridin-2-yl]sulfanyl-propanamide

Systemtic Name: N-tert-butyl-2-[5-[4-(phenylmethyl)piperazin-1-yl]sulfonylpyridin-2-yl]sulfanyl-propanamide Openeye Name: 2-[[5-(4-benzylpiperazin-1-yl)sulfonyl-2-pyridyl]sulfanyl]-N-tert-butyl-propanamide CAS Name: N-tert-butyl-2-[[5-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]-2-pyridinyl]thio]propanamide IUPAC Name: 2-[5-(4-benzylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-N-tert-butylpropanamide Traditional Name: 2-[[5-(4-benzylpiperazino)sulfonyl-2-pyridyl]thio]-N-tert-butyl-propionamide Formula: C23H32N4O3S2 MolecularWeight: 476.65518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)SC1=NC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC(C)(C)C)SC1=NC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H32N4O3S2/c1-18(22(28)25-23(2,3)4)31-21-11-10-20(16-24-21)32(29,30)27-14-12-26(13-15-27)17-19-8-6-5-7-9-19/h5-11,16,18H,12-15,17H2,1-4H3,(H,25,28)