N-(3-chlorophenyl)-2-(6-piperidin-1-ylsulfonylquinoxalin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-chlorophenyl)-2-(6-piperidin-1-ylsulfonylquinoxalin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-chlorophenyl)-2-[6-(1-piperidylsulfonyl)quinoxalin-2-yl]sulfanyl-acetamide CAS Name: N-(3-chlorophenyl)-2-[[6-(1-piperidinylsulfonyl)-2-quinoxalinyl]thio]acetamide IUPAC Name: N-(3-chlorophenyl)-2-(6-piperidin-1-ylsulfonylquinoxalin-2-yl)sulfanylacetamide Traditional Name: N-(3-chlorophenyl)-2-[(6-piperidinosulfonylquinoxalin-2-yl)thio]acetamide Formula: C21H21ClN4O3S2 MolecularWeight: 476.99944

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC3=NC=C(N=C3C=C2)SCC(=O)NC4=CC(=CC=C4)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC3=NC=C(N=C3C=C2)SCC(=O)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H21ClN4O3S2/c22-15-5-4-6-16(11-15)24-20(27)14-30-21-13-23-19-12-17(7-8-18(19)25-21)31(28,29)26-9-2-1-3-10-26/h4-8,11-13H,1-3,9-10,14H2,(H,24,27)