2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)propan-1-one

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)propan-1-one Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-1-(4-ethylpiperazin-1-yl)propan-1-one CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-1-(4-ethyl-1-piperazinyl)-1-propanone IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)propan-1-one Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-1-(4-ethylpiperazino)propan-1-one Formula: C20H32N4O3S2 MolecularWeight: 440.62308

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C(C)SC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCN1CCN(CC1)C(=O)C(C)SC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H32N4O3S2/c1-3-22-12-14-23(15-13-22)20(25)17(2)28-19-9-8-18(16-21-19)29(26,27)24-10-6-4-5-7-11-24/h8-9,16-17H,3-7,10-15H2,1-2H3