1-[6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-oxidanylidene-hexyl]urea

Systemtic Name: 1-[6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-oxidanylidene-hexyl]urea Openeye Name: [6-oxo-6-[4-(p-tolylsulfonyl)piperazin-1-yl]hexyl]urea CAS Name: [6-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-6-oxohexyl]urea IUPAC Name: [6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-oxohexyl]urea Traditional Name: [6-keto-6-(4-tosylpiperazino)hexyl]urea Formula: C18H28N4O4S MolecularWeight: 396.50432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCCCCNC(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCCCCNC(=O)N

InChI

InChI=1S/C18H28N4O4S/c1-15-6-8-16(9-7-15)27(25,26)22-13-11-21(12-14-22)17(23)5-3-2-4-10-20-18(19)24/h6-9H,2-5,10-14H2,1H3,(H3,19,20,24)