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

Systemtic Name: 1-[6-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-6-oxidanylidene-hexyl]urea Openeye Name: [6-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-6-oxo-hexyl]urea CAS Name: [6-[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-6-oxohexyl]urea IUPAC Name: [6-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-6-oxohexyl]urea Traditional Name: [6-[4-(4-tert-butylphenyl)sulfonylpiperazino]-6-keto-hexyl]urea Formula: C21H34N4O4S MolecularWeight: 438.58406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N4O4S/c1-21(2,3)17-8-10-18(11-9-17)30(28,29)25-15-13-24(14-16-25)19(26)7-5-4-6-12-23-20(22)27/h8-11H,4-7,12-16H2,1-3H3,(H3,22,23,27)