1-[2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]ethyl]-1-[(4-fluorophenyl)methyl]-3-octyl-urea

Systemtic Name: 1-[2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]ethyl]-1-[(4-fluorophenyl)methyl]-3-octyl-urea Openeye Name: 1-[2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]ethyl]-1-[(4-fluorophenyl)methyl]-3-octyl-urea CAS Name: 1-[2-[4-(4-bromophenyl)sulfonyl-1-piperazinyl]ethyl]-1-[(4-fluorophenyl)methyl]-3-octylurea IUPAC Name: 1-[2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]ethyl]-1-[(4-fluorophenyl)methyl]-3-octylurea Traditional Name: 1-[2-(4-brosylpiperazino)ethyl]-1-(4-fluorobenzyl)-3-octyl-urea Formula: C28H40BrFN4O3S MolecularWeight: 611.609603

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)N(CCN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Br)CC3=CC=C(C=C3)F

Isomeric SMILES

CCCCCCCCNC(=O)N(CCN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Br)CC3=CC=C(C=C3)F

InChI

InChI=1S/C28H40BrFN4O3S/c1-2-3-4-5-6-7-16-31-28(35)33(23-24-8-12-26(30)13-9-24)20-17-32-18-21-34(22-19-32)38(36,37)27-14-10-25(29)11-15-27/h8-15H,2-7,16-23H2,1H3,(H,31,35)