2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-1-[4-(4-hydroxyphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-1-[4-(4-hydroxyphenyl)piperazino]ethanone Formula: C23H30N4O4S2 MolecularWeight: 490.6387

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)O

InChI

InChI=1S/C23H30N4O4S2/c28-20-7-5-19(6-8-20)25-13-15-26(16-14-25)23(29)18-32-22-10-9-21(17-24-22)33(30,31)27-11-3-1-2-4-12-27/h5-10,17,28H,1-4,11-16,18H2