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

Systemtic Name: N-(cyclopropylmethyl)-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-(cyclopropylmethyl)acetamide CAS Name: N-(cyclopropylmethyl)-2-[[5-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]-2-pyridinyl]thio]acetamide IUPAC Name: 2-[5-(4-benzylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-N-(cyclopropylmethyl)acetamide Traditional Name: 2-[[5-(4-benzylpiperazino)sulfonyl-2-pyridyl]thio]-N-(cyclopropylmethyl)acetamide Formula: C22H28N4O3S2 MolecularWeight: 460.61272

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CNC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CC1CNC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H28N4O3S2/c27-21(23-14-18-6-7-18)17-30-22-9-8-20(15-24-22)31(28,29)26-12-10-25(11-13-26)16-19-4-2-1-3-5-19/h1-5,8-9,15,18H,6-7,10-14,16-17H2,(H,23,27)