[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[2-(oxolan-2-ylmethylsulfanyl)phenyl]methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[2-(oxolan-2-ylmethylsulfanyl)phenyl]methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[2-(tetrahydrofuran-2-ylmethylsulfanyl)phenyl]methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-[2-(2-oxolanylmethylthio)phenyl]methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[2-(oxolan-2-ylmethylsulfanyl)phenyl]methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-[2-(tetrahydrofurfurylthio)phenyl]methanone Formula: C22H33N3O4S2 MolecularWeight: 467.64512

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3SCC4CCCO4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3SCC4CCCO4

InChI

InChI=1S/C22H33N3O4S2/c26-22(20-9-3-4-10-21(20)30-18-19-8-7-17-29-19)23-13-15-25(16-14-23)31(27,28)24-11-5-1-2-6-12-24/h3-4,9-10,19H,1-2,5-8,11-18H2