1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-(1,3-benzoxazol-2-ylsulfanyl)ethanone

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-(1,3-benzoxazol-2-ylsulfanyl)ethanone Openeye Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-(1,3-benzoxazol-2-ylsulfanyl)ethanone CAS Name: 1-[4-(1-azepanylsulfonyl)-1-piperazinyl]-2-(1,3-benzoxazol-2-ylthio)ethanone IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-(1,3-benzoxazol-2-ylsulfanyl)ethanone Traditional Name: 1-[4-(azepan-1-ylsulfonyl)piperazino]-2-(1,3-benzoxazol-2-ylthio)ethanone Formula: C19H26N4O4S2 MolecularWeight: 438.56414

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C19H26N4O4S2/c24-18(15-28-19-20-16-7-3-4-8-17(16)27-19)21-11-13-23(14-12-21)29(25,26)22-9-5-1-2-6-10-22/h3-4,7-8H,1-2,5-6,9-15H2