[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-[2-(methylthio)phenyl]methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-[2-(methylthio)phenyl]methanone Formula: C18H27N3O3S2 MolecularWeight: 397.55528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O3S2/c1-25-17-9-5-4-8-16(17)18(22)19-12-14-21(15-13-19)26(23,24)20-10-6-2-3-7-11-20/h4-5,8-9H,2-3,6-7,10-15H2,1H3