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

Systemtic Name: N-aminocarbonyl-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-carbamoyl-acetamide CAS Name: N-carbamoyl-2-[[5-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]-2-pyridinyl]thio]acetamide IUPAC Name: 2-[5-(4-benzylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-N-carbamoylacetamide Traditional Name: 2-[[5-(4-benzylpiperazino)sulfonyl-2-pyridyl]thio]-N-carbamoyl-acetamide Formula: C19H23N5O4S2 MolecularWeight: 449.54702

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CN=C(C=C3)SCC(=O)NC(=O)N

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CN=C(C=C3)SCC(=O)NC(=O)N

InChI

InChI=1S/C19H23N5O4S2/c20-19(26)22-17(25)14-29-18-7-6-16(12-21-18)30(27,28)24-10-8-23(9-11-24)13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2,(H3,20,22,25,26)