N-[(2S)-butan-2-yl]-2-[5-[4-(phenylmethyl)piperazin-1-yl]sulfonylpyridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[(2S)-butan-2-yl]-2-[5-[4-(phenylmethyl)piperazin-1-yl]sulfonylpyridin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[[5-(4-benzylpiperazin-1-yl)sulfonyl-2-pyridyl]sulfanyl]-N-[(1S)-1-methylpropyl]acetamide CAS Name: N-[(2S)-butan-2-yl]-2-[[5-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]-2-pyridinyl]thio]acetamide IUPAC Name: 2-[5-(4-benzylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-N-[(2S)-butan-2-yl]acetamide Traditional Name: 2-[[5-(4-benzylpiperazino)sulfonyl-2-pyridyl]thio]-N-[(1S)-1-methylpropyl]acetamide Formula: C22H30N4O3S2 MolecularWeight: 462.6286

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC[C@H](C)NC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H30N4O3S2/c1-3-18(2)24-21(27)17-30-22-10-9-20(15-23-22)31(28,29)26-13-11-25(12-14-26)16-19-7-5-4-6-8-19/h4-10,15,18H,3,11-14,16-17H2,1-2H3,(H,24,27)/t18-/m0/s1