2-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]carbonylphenyl]sulfanyl-N,N-dimethyl-ethanamide

Systemtic Name: 2-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]carbonylphenyl]sulfanyl-N,N-dimethyl-ethanamide Openeye Name: 2-[2-[4-(azepan-1-ylsulfonyl)piperazine-1-carbonyl]phenyl]sulfanyl-N,N-dimethyl-acetamide CAS Name: 2-[[2-[[4-(1-azepanylsulfonyl)-1-piperazinyl]-oxomethyl]phenyl]thio]-N,N-dimethylacetamide IUPAC Name: 2-[2-[4-(azepan-1-ylsulfonyl)piperazine-1-carbonyl]phenyl]sulfanyl-N,N-dimethylacetamide Traditional Name: 2-[[2-[4-(azepan-1-ylsulfonyl)piperazine-1-carbonyl]phenyl]thio]-N,N-dimethyl-acetamide Formula: C21H32N4O4S2 MolecularWeight: 468.63318

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CSC1=CC=CC=C1C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN(C)C(=O)CSC1=CC=CC=C1C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H32N4O4S2/c1-22(2)20(26)17-30-19-10-6-5-9-18(19)21(27)23-13-15-25(16-14-23)31(28,29)24-11-7-3-4-8-12-24/h5-6,9-10H,3-4,7-8,11-17H2,1-2H3